3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine

C12H26N2 — CID 66010514

IUPAC3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
SMILESCCC(C)(C)N(C)CC1CCC(N)C1
InChIInChI=1S/C12H26N2/c1-5-12(2,3)14(4)9-10-6-7-11(13)8-10/h10-11H,5-9,13H2,1-4H3
InChIKeyBDRQHOWKTTVTNU-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds4

About 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine

3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine (PubChem CID 66010514) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
PubChem CID66010514
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
SMILESCCC(C)(C)N(C)CC1CCC(N)C1
InChIInChI=1S/C12H26N2/c1-5-12(2,3)14(4)9-10-6-7-11(13)8-10/h10-11H,5-9,13H2,1-4H3
InChIKeyBDRQHOWKTTVTNU-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008220
N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
CID 139362813
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553
5-amino-N,2-dimethyl-N-(2-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 63961904
4-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-ol
CID 63966531
3-[[cyclopentyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008623
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 63965016
3-[(dibutylamino)methyl]cyclopentan-1-amine
CID 66008000
N'-[(3-aminocyclopentyl)methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994345
2-N-(cyclobutylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62860403
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
N-[(3-aminocyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82739993

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine (CID 66010514) is 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine is CCC(C)(C)N(C)CC1CCC(N)C1.
What is the InChIKey of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine?
The InChIKey is BDRQHOWKTTVTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-12(2,3)14(4)9-10-6-7-11(13)8-10/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine?
3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 66010514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).