1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine

C16H34N2 — CID 114011161

IUPAC1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine
SMILESCC(C)CCN(CCC(C)C)CC1(N)CCCC1
InChIInChI=1S/C16H34N2/c1-14(2)7-11-18(12-8-15(3)4)13-16(17)9-5-6-10-16/h14-15H,5-13,17H2,1-4H3
InChIKeyAZGMECXSROOJFP-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.65
Rot. Bonds8

About 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine

1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine (PubChem CID 114011161) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine
PubChem CID114011161
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine
SMILESCC(C)CCN(CCC(C)C)CC1(N)CCCC1
InChIInChI=1S/C16H34N2/c1-14(2)7-11-18(12-8-15(3)4)13-16(17)9-5-6-10-16/h14-15H,5-13,17H2,1-4H3
InChIKeyAZGMECXSROOJFP-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-N2-(2-cyclopentylethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482209
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-N(sup 1),2-dimethyl-
CID 107182
(2R)-2-N-[(2S,3S)-2-(cyclopentylmethylamino)-3-methylpentyl]-1-N,6-N-dimethylhexane-1,2,6-triamine
CID 24792590
1-(aminomethyl)-N,N-dimethylcyclopentan-1-amine
CID 10844493
1-[(Dimethylamino)methyl]cyclopentan-1-amine dihydrochloride
CID 91812313
1-((Diethylamino)methyl)cyclopentan-1-amine
CID 28294588
1-[(Dimethylamino)methyl]cyclopentan-1-amine
CID 28294585
Methylpropoctamine hydrochloride
CID 155887654
N',N'-bis(2-ethylhexyl)ethane-1,2-diamine
CID 17763045
1-N-(2-aminoethyl)-4-methyl-2-N,2-N,2-tris(2-methylpropyl)pentane-1,2-diamine
CID 18364431
1-N-(2-aminoethyl)-2-N,2-N,2-tri(butan-2-yl)-3-methylpentane-1,2-diamine
CID 18364443
1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine
CID 18364444

Frequently Asked Questions

What is the IUPAC name of 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine (CID 114011161) is 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine is CC(C)CCN(CCC(C)C)CC1(N)CCCC1.
What is the InChIKey of 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is AZGMECXSROOJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-14(2)7-11-18(12-8-15(3)4)13-16(17)9-5-6-10-16/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine?
1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[bis(3-methylbutyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 114011161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).