1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine

C17H36N2 — CID 107869628

IUPAC1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
SMILESCCNC1CCC(N(CCC(C)C)CCC(C)C)C1
InChIInChI=1S/C17H36N2/c1-6-18-16-7-8-17(13-16)19(11-9-14(2)3)12-10-15(4)5/h14-18H,6-13H2,1-5H3
InChIKeyXFSJNFQTPCLQMW-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds9

About 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine

1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine (PubChem CID 107869628) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
PubChem CID107869628
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine
SMILESCCNC1CCC(N(CCC(C)C)CCC(C)C)C1
InChIInChI=1S/C17H36N2/c1-6-18-16-7-8-17(13-16)19(11-9-14(2)3)12-10-15(4)5/h14-18H,6-13H2,1-5H3
InChIKeyXFSJNFQTPCLQMW-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)cyclohexane-1,3-diamine
CID 79618497
1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine
CID 79643301
N,N'-dicyclopropyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 78989930
3-N-(2-ethoxyethyl)-1-N,3-N-diethylcyclopentane-1,3-diamine
CID 79643445
4-N-[2-(dimethylamino)ethyl]-1-N-ethyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 114763130
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N-cyclohexyl-N'-cyclopropyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 78991088
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methoxyethyl)cyclopentane-1,3-diamine
CID 79643074
1-N-ethyl-3-N-(2-methoxyethyl)-3-N-pentan-3-ylcyclopentane-1,3-diamine
CID 79643078
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043
1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine
CID 79618827
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine (CID 107869628) is 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine is CCNC1CCC(N(CCC(C)C)CCC(C)C)C1.
What is the InChIKey of 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine?
The InChIKey is XFSJNFQTPCLQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-18-16-7-8-17(13-16)19(11-9-14(2)3)12-10-15(4)5/h14-18H,6-13H2,1-5H3.
What are the key properties of 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine?
1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N,3-N-bis(3-methylbutyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 107869628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).