3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine

C12H26N2 — CID 66008220

IUPAC3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine
SMILESCN(CC1CCC(N)C1)CC(C)(C)C
InChIInChI=1S/C12H26N2/c1-12(2,3)9-14(4)8-10-5-6-11(13)7-10/h10-11H,5-9,13H2,1-4H3
InChIKeyWBROTDPNGFGHBM-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine

3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine (PubChem CID 66008220) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine
PubChem CID66008220
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine
SMILESCN(CC1CCC(N)C1)CC(C)(C)C
InChIInChI=1S/C12H26N2/c1-12(2,3)9-14(4)8-10-5-6-11(13)7-10/h10-11H,5-9,13H2,1-4H3
InChIKeyWBROTDPNGFGHBM-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-N,2,2-trimethylpropan-1-amine
CID 79533480
3-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
CID 66010514
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 60892926
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
1-N-(cyclopropylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267342
3-[[3-methoxypropyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008015
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
3-[[cyclopentyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008623
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-amine
CID 66010505
N-[(3-aminocyclopentyl)methyl]-N-methyloxan-4-amine
CID 66010288
N'-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-N'-methylpropane-1,3-diamine
CID 107473176
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 66009251

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine (CID 66008220) is 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine is CN(CC1CCC(N)C1)CC(C)(C)C.
What is the InChIKey of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is WBROTDPNGFGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)9-14(4)8-10-5-6-11(13)7-10/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine?
3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dimethylpropyl(methyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 66008220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).