N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine

C18H35N — CID 82935222

IUPACN-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)C(C2CCCCCC2)C1
InChIInChI=1S/C18H35N/c1-14(2)19-13-17-11-10-15(3)12-18(17)16-8-6-4-5-7-9-16/h14-19H,4-13H2,1-3H3
InChIKeyWVKVWUFAVZUXJE-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds4

About N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine

N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine (PubChem CID 82935222) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
PubChem CID82935222
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
SMILESCC1CCC(CNC(C)C)C(C2CCCCCC2)C1
InChIInChI=1S/C18H35N/c1-14(2)19-13-17-11-10-15(3)12-18(17)16-8-6-4-5-7-9-16/h14-19H,4-13H2,1-3H3
InChIKeyWVKVWUFAVZUXJE-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-cycloheptyl-4-methylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 82935826
N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032192
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971
1-(2-cyclohexyl-4-propan-2-ylcyclohexyl)-N-methylmethanamine
CID 81028956
N-[(4-methyl-2-nonylcyclohexyl)methyl]propan-2-amine
CID 81034416
N-[(2-hexyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 81031373
N-[[2-(4-ethylcyclohexyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033006
N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 81032198
N-methyl-1-[4-methyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81026190
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
CID 104575931
1-[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025745
N-[[2-(2-ethylsulfonylethyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 106735579

Frequently Asked Questions

What is the IUPAC name of N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine (CID 82935222) is N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine is CC1CCC(CNC(C)C)C(C2CCCCCC2)C1.
What is the InChIKey of N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine?
The InChIKey is WVKVWUFAVZUXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-14(2)19-13-17-11-10-15(3)12-18(17)16-8-6-4-5-7-9-16/h14-19H,4-13H2,1-3H3.
What are the key properties of N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine?
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-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-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 82935222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).