4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine

C16H36N2 — CID 64705964

IUPAC4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)CC(C)N(CC)CC(CC)CC
InChIInChI=1S/C16H36N2/c1-7-11-17-14(5)12-15(6)18(10-4)13-16(8-2)9-3/h14-17H,7-13H2,1-6H3
InChIKeySXJQDDLGUCPOKA-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.91
Rot. Bonds11

About 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine

4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine (PubChem CID 64705964) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine
PubChem CID64705964
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)CC(C)N(CC)CC(CC)CC
InChIInChI=1S/C16H36N2/c1-7-11-17-14(5)12-15(6)18(10-4)13-16(8-2)9-3/h14-17H,7-13H2,1-6H3
InChIKeySXJQDDLGUCPOKA-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-ethyl-4-N-(2-methylpropyl)-2-N-propylpentane-2,4-diamine
CID 64706147
4-N,4-N-dibutyl-2-N-propylpentane-2,4-diamine
CID 64708204
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
CID 55197020
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 63492427
1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
CID 62435358
3,5-diethyl-N-propylheptan-2-amine
CID 82928149
N-butan-2-yl-N-ethyl-2-propylpentan-1-amine
CID 177354730
(2H)iodane;N-propylbutan-2-amine
CID 160782338
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propan-1-ol
CID 64825940

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine (CID 64705964) is 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine is CCCNC(C)CC(C)N(CC)CC(CC)CC.
What is the InChIKey of 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine?
The InChIKey is SXJQDDLGUCPOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-11-17-14(5)12-15(6)18(10-4)13-16(8-2)9-3/h14-17H,7-13H2,1-6H3.
What are the key properties of 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine?
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpentane-2,4-diamine is sourced from PubChem (CID 64705964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).