N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine

C17H37N3 — CID 102992105

IUPACN'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1(CN)CCCC1(C)C
InChIInChI=1S/C17H37N3/c1-6-19(7-2)13-10-14-20(8-3)17(15-18)12-9-11-16(17,4)5/h6-15,18H2,1-5H3
InChIKeyLBYZJERFQZIJIO-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.95
Rot. Bonds9

About N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992105) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992105
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1(CN)CCCC1(C)C
InChIInChI=1S/C17H37N3/c1-6-19(7-2)13-10-14-20(8-3)17(15-18)12-9-11-16(17,4)5/h6-15,18H2,1-5H3
InChIKeyLBYZJERFQZIJIO-UHFFFAOYSA-N
XLogP2.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992110
1-(aminomethyl)-N-ethyl-2,2-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 79836992
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 107397761
1-(aminomethyl)-2,2-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 79857560
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-ethylcyclohexanamine
CID 79856769
1-(aminomethyl)-N-(2-methoxyethyl)-2,2-dimethyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 79856665
1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836655
N'-[1-(aminomethyl)cyclopentyl]-N,N,N'-triethylethane-1,2-diamine
CID 62010550
N-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N-butylaniline
CID 79857922
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 79847920
1-(aminomethyl)-N,2,2-trimethyl-N-(2-methylbutyl)cyclopentan-1-amine
CID 79858006
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine
CID 81059608

Frequently Asked Questions

What is the IUPAC name of N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102992105) is N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)C1(CN)CCCC1(C)C.
What is the InChIKey of N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is LBYZJERFQZIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-19(7-2)13-10-14-20(8-3)17(15-18)12-9-11-16(17,4)5/h6-15,18H2,1-5H3.
What are the key properties of N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).