N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C17H33N — CID 63462599

IUPACN-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(CNC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N/c1-13(2)16-8-10-17(11-9-16)18-12-15-6-4-14(3)5-7-15/h13-18H,4-12H2,1-3H3
InChIKeyXHROIBRADHGJTM-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds4

About N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine

N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63462599) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63462599
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(CNC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N/c1-13(2)16-8-10-17(11-9-16)18-12-15-6-4-14(3)5-7-15/h13-18H,4-12H2,1-3H3
InChIKeyXHROIBRADHGJTM-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704648
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704083
3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 64745632
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721
N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine
CID 177148483
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63462599) is N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC1CCC(CNC2CCC(C(C)C)CC2)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is XHROIBRADHGJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13(2)16-8-10-17(11-9-16)18-12-15-6-4-14(3)5-7-15/h13-18H,4-12H2,1-3H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63462599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).