N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C17H35N — CID 114210659

IUPACN-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1CCCC(C)(C)C
InChIInChI=1S/C17H35N/c1-14(2)12-18-13-16-9-6-8-15(16)10-7-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyRAKKFFWFWDRGBQ-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.86
Rot. Bonds7

About N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 114210659) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID114210659
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1CCCC(C)(C)C
InChIInChI=1S/C17H35N/c1-14(2)12-18-13-16-9-6-8-15(16)10-7-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3
InChIKeyRAKKFFWFWDRGBQ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505
2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine
CID 81024941
N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114190488
2-methyl-N-[[2-[3-(oxolan-2-yl)propyl]cycloheptyl]methyl]propan-1-amine
CID 81033452
2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine
CID 81028351
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364846
2-methyl-N-[[2-[2-(oxolan-2-yl)ethyl]cycloheptyl]methyl]propan-1-amine
CID 81025739
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
N-[(2-but-2-ynylcycloheptyl)methyl]-2-methylpropan-1-amine
CID 81025136

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 114210659) is N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCC1CCCC(C)(C)C.
What is the InChIKey of N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RAKKFFWFWDRGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-14(2)12-18-13-16-9-6-8-15(16)10-7-11-17(3,4)5/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114210659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).