1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine

C12H26N2 — CID 80705971

IUPAC1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N(C)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C12H26N2/c1-10(2)14(5)12(9-13)7-6-11(3,4)8-12/h10H,6-9,13H2,1-5H3
InChIKeyOPCUPJOUWAMDMF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds3

About 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine

1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine (PubChem CID 80705971) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
PubChem CID80705971
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
SMILESCC(C)N(C)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C12H26N2/c1-10(2)14(5)12(9-13)7-6-11(3,4)8-12/h10H,6-9,13H2,1-5H3
InChIKeyOPCUPJOUWAMDMF-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 80705046
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
3-(aminomethyl)-N,5,5-trimethyl-N-propan-2-yloxolan-3-amine
CID 130971170
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)cyclopropan-1-amine
CID 106661064
6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine
CID 130559595
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 112682322
[1-[methyl(propan-2-yl)amino]cyclopropyl]methanol;hydrochloride
CID 90101625
1-(aminomethyl)-N-methyl-N-(4-methylpentan-2-yl)cyclopropan-1-amine
CID 106661145
4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820460
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine
CID 80705422
1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
CID 107869553
1-(aminomethyl)-N-(2-methylpropyl)-N-propan-2-ylcyclobutan-1-amine
CID 79520911

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine (CID 80705971) is 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine is CC(C)N(C)C1(CN)CCC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is OPCUPJOUWAMDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10(2)14(5)12(9-13)7-6-11(3,4)8-12/h10H,6-9,13H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine?
1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 80705971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).