N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

C18H35N — CID 81032369

IUPACN-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(CNC(C)(C)C)C(CC2CCCC2)C1
InChIInChI=1S/C18H35N/c1-14-9-10-16(13-19-18(2,3)4)17(11-14)12-15-7-5-6-8-15/h14-17,19H,5-13H2,1-4H3
InChIKeyNOEGKNQXKNNIGA-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds4

About N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81032369) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81032369
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCC(CNC(C)(C)C)C(CC2CCCC2)C1
InChIInChI=1S/C18H35N/c1-14-9-10-16(13-19-18(2,3)4)17(11-14)12-15-7-5-6-8-15/h14-17,19H,5-13H2,1-4H3
InChIKeyNOEGKNQXKNNIGA-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(cyclopentylmethyl)-4-propylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81025982
2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81031384
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
N-(cyclohexylmethyl)-2-methylpropan-2-amine;methane
CID 159032634
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
2-methyl-N-[[2-(3-methylcyclohexyl)cyclopentyl]methyl]propan-2-amine
CID 81026999
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109
2-methyl-N-[[2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81024627
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033831
2-(2-cyclohexylethyl)-1,4-dimethylcyclohexane
CID 154060560
1-[2-(cyclohexylmethyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031700
N-[[2-(4-ethylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81034592

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81032369) is N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is CC1CCC(CNC(C)(C)C)C(CC2CCCC2)C1.
What is the InChIKey of N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is NOEGKNQXKNNIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-14-9-10-16(13-19-18(2,3)4)17(11-14)12-15-7-5-6-8-15/h14-17,19H,5-13H2,1-4H3.
What are the key properties of N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylmethyl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81032369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).