N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine

C17H33N — CID 107448430

IUPACN-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2CCCCC2C)C1
InChIInChI=1S/C17H33N/c1-13(2)15-9-6-10-17(11-15)18-12-16-8-5-4-7-14(16)3/h13-18H,4-12H2,1-3H3
InChIKeyDEKHBWXBFBJDKT-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds4

About N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine

N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448430) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448430
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(NCC2CCCCC2C)C1
InChIInChI=1S/C17H33N/c1-13(2)15-9-6-10-17(11-15)18-12-16-8-5-4-7-14(16)3/h13-18H,4-12H2,1-3H3
InChIKeyDEKHBWXBFBJDKT-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-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561813
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
3-cyclopropyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417299
N-[(2-methylcyclopentyl)methyl]-2-propan-2-yloxan-4-amine
CID 107417410
3-N-[(2-methylcyclopentyl)methyl]cyclopentane-1,3-diamine
CID 107417313
3-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 107448605
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565195
N-[(2-methylcyclohexyl)methyl]thietan-3-amine
CID 130650863
2-methyl-N-(3-propan-2-ylcyclohexyl)cycloheptan-1-amine
CID 107448582
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine (CID 107448430) is N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(NCC2CCCCC2C)C1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is DEKHBWXBFBJDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13(2)15-9-6-10-17(11-15)18-12-16-8-5-4-7-14(16)3/h13-18H,4-12H2,1-3H3.
What are the key properties of N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine?
N-[(2-methylcyclohexyl)methyl]-3-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-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).