3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine

C64H138N2 — CID 167677256

IUPAC3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine
SMILESCCC(CC)(CC)CC.CCC(CC)=C(CC)CC.CCC(CC)CC(CC)CC.CCC(CC)CN(CC)CC.CCC(CC)CNCC(CC)CC.CCC=C(CC)CC(CC)CC
InChIInChI=1S/C12H27N.C12H24.C11H24.C10H23N.C10H20.C9H20/c1-5-11(6-2)9-13-10-12(7-3)8-4;1-5-9-12(8-4)10-11(6-2)7-3;2*1-5-10(6-2)9-11(7-3)8-4;1-5-9(6-2)10(7-3)8-4;1-5-9(6-2,7-3)8-4/h11-13H,5-10H2,1-4H3;9,11H,5-8,10H2,1-4H3;10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;5-8H2,1-4H3;5-8H2,1-4H3
InChIKeyUZOPVYQAFUYVSE-UHFFFAOYSA-N
MW935.82 g/mol
LogP22.56
Rot. Bonds34

About 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine

3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine (PubChem CID 167677256) has the molecular formula C64H138N2 and a molecular weight of 935.82 g/mol. Its IUPAC name is 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine.

Molecular Properties

Compound Name3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine
PubChem CID167677256
Molecular FormulaC64H138N2
Molecular Weight935.82 g/mol
Exact Mass935.09
IUPAC Name3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine
SMILESCCC(CC)(CC)CC.CCC(CC)=C(CC)CC.CCC(CC)CC(CC)CC.CCC(CC)CN(CC)CC.CCC(CC)CNCC(CC)CC.CCC=C(CC)CC(CC)CC
InChIInChI=1S/C12H27N.C12H24.C11H24.C10H23N.C10H20.C9H20/c1-5-11(6-2)9-13-10-12(7-3)8-4;1-5-9-12(8-4)10-11(6-2)7-3;2*1-5-10(6-2)9-11(7-3)8-4;1-5-9(6-2)10(7-3)8-4;1-5-9(6-2,7-3)8-4/h11-13H,5-10H2,1-4H3;9,11H,5-8,10H2,1-4H3;10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;5-8H2,1-4H3;5-8H2,1-4H3
InChIKeyUZOPVYQAFUYVSE-UHFFFAOYSA-N
XLogP22.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.82
LogP ≤ 522.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

N-(3,7-Dimethyloct-6-en-1-yl)-3,7-dimethyloct-6-en-1-amine
CID 13945557
3-[3-[(Z)-but-2-enyl]-1-ethyl-3-[(E)-2-fluoroethenyl]-2H-pyrrol-4-yl]-N-methylpentan-1-amine
CID 143396134
1,3-Propanediamine, N'-[(3S)-3,7-dimethyl-6-octenyl]-N,N-dimethyl-
CID 2298843
N'-(2-ethylhexyl)octadec-9-ene-1,18-diamine
CID 56617191
5-ethyl-N,7,7-trimethyl-3-pent-4-enyloct-3-en-1-amine
CID 88934309
(4S,5Z)-3-ethyl-4-methyl-N-[(3E,5S)-2,2,5-trimethyl-3-propylideneheptyl]undeca-5,10-dien-1-amine
CID 89374759
2-ethyl-N-methyl-8-propylundec-4-en-1-amine
CID 90799351
N-butyl-8-tert-butyl-5-methylundeca-7,10-dien-1-amine
CID 91161176
N'-(2,4,8,8,10,10-hexamethylundec-5-en-2-yl)propane-1,3-diamine
CID 91264150
1-N-(17,18-dimethylnonadec-10-enyl)-7-methyl-3-(2-methylbutyl)-6-N-(3,3,4-trimethylhexyl)nonane-1,6-diamine
CID 91367010
N-(15-decyl-2,4-dimethyl-6-octadecylhexacos-14-enyl)-N',N'-dimethylbutane-1,4-diamine
CID 123372576
2-ethyl-N-methyl-3-propylhept-3-ene-1,7-diamine
CID 123551471

Frequently Asked Questions

What is the IUPAC name of 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine?
The IUPAC name of 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine (CID 167677256) is 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine.
What is the SMILES notation for 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine?
The canonical SMILES for 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine is CCC(CC)(CC)CC.CCC(CC)=C(CC)CC.CCC(CC)CC(CC)CC.CCC(CC)CN(CC)CC.CCC(CC)CNCC(CC)CC.CCC=C(CC)CC(CC)CC.
What is the InChIKey of 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine?
The InChIKey is UZOPVYQAFUYVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C12H24.C11H24.C10H23N.C10H20.C9H20/c1-5-11(6-2)9-13-10-12(7-3)8-4;1-5-9-12(8-4)10-11(6-2)7-3;2*1-5-10(6-2)9-11(7-3)8-4;1-5-9(6-2)10(7-3)8-4;1-5-9(6-2,7-3)8-4/h11-13H,5-10H2,1-4H3;9,11H,5-8,10H2,1-4H3;10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;5-8H2,1-4H3;5-8H2,1-4H3.
What are the key properties of 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine?
3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine has a molecular weight of 935.82 g/mol, XLogP of 22.56, 34 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylheptane;3,4-diethylhex-3-ene;4,6-diethyloct-3-ene;3,3-diethylpentane;2-ethyl-N-(2-ethylbutyl)butan-1-amine;N,N,2-triethylbutan-1-amine is sourced from PubChem (CID 167677256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).