3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane

C14H35N3 — CID 156728034

IUPAC3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
SMILESCC.CCN(C)CCC(C)N(C)CCN(C)C
InChIInChI=1S/C12H29N3.C2H6/c1-7-14(5)9-8-12(2)15(6)11-10-13(3)4;1-2/h12H,7-11H2,1-6H3;1-2H3
InChIKeyXOYRIAIMCYGKCC-UHFFFAOYSA-N
MW245.45 g/mol
LogP2.24
Rot. Bonds8

About 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane

3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane (PubChem CID 156728034) has the molecular formula C14H35N3 and a molecular weight of 245.45 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
PubChem CID156728034
Molecular FormulaC14H35N3
Molecular Weight245.45 g/mol
Exact Mass245.28
IUPAC Name3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane
SMILESCC.CCN(C)CCC(C)N(C)CCN(C)C
InChIInChI=1S/C12H29N3.C2H6/c1-7-14(5)9-8-12(2)15(6)11-10-13(3)4;1-2/h12H,7-11H2,1-6H3;1-2H3
InChIKeyXOYRIAIMCYGKCC-UHFFFAOYSA-N
XLogP2.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
ethane;N-ethyl-N,N'-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176935759
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
ethane;1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine
CID 153352387
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
propane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 143725559
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
CID 63223604
3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
N-ethyl-N,3,5-trimethylheptan-1-amine
CID 123997066
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane (CID 156728034) is 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane is CC.CCN(C)CCC(C)N(C)CCN(C)C.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane?
The InChIKey is XOYRIAIMCYGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3.C2H6/c1-7-14(5)9-8-12(2)15(6)11-10-13(3)4;1-2/h12H,7-11H2,1-6H3;1-2H3.
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane?
3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane has a molecular weight of 245.45 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N,3-N-dimethylbutane-1,3-diamine;ethane is sourced from PubChem (CID 156728034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).