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

C15H29N — CID 103561813

IUPACN-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCC2CCCCC2C)C1
InChIInChI=1S/C15H29N/c1-11(2)14-8-15(9-14)16-10-13-7-5-4-6-12(13)3/h11-16H,4-10H2,1-3H3
InChIKeyDGDHNOYXMWMJEF-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds4

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

N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103561813) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103561813
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCC(C)C1CC(NCC2CCCCC2C)C1
InChIInChI=1S/C15H29N/c1-11(2)14-8-15(9-14)16-10-13-7-5-4-6-12(13)3/h11-16H,4-10H2,1-3H3
InChIKeyDGDHNOYXMWMJEF-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448430
2-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565195
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 115652182
N-[(2-methylcyclohexyl)methyl]thietan-3-amine
CID 130650863
N-[(2-methylcyclopentyl)methyl]-2-propan-2-yloxan-4-amine
CID 107417410
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclobutan-1-ol
CID 103562049
3-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 103578521
3-cyclopropyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417299
3-N-[(2-methylcyclopentyl)methyl]cyclopentane-1,3-diamine
CID 107417313
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-ylcyclobutan-1-amine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine (CID 103561813) is N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine is CC(C)C1CC(NCC2CCCCC2C)C1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is DGDHNOYXMWMJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11(2)14-8-15(9-14)16-10-13-7-5-4-6-12(13)3/h11-16H,4-10H2,1-3H3.
What are the key properties of N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine?
N-[(2-methylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 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-ylcyclobutan-1-amine is sourced from PubChem (CID 103561813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).