N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine

C13H25N — CID 65081336

IUPACN-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCC2CCC2)CC1
InChIInChI=1S/C13H25N/c1-11-4-2-7-13(9-8-11)14-10-12-5-3-6-12/h11-14H,2-10H2,1H3
InChIKeyVVCANLRGJAYYHH-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds3

About N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine

N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine (PubChem CID 65081336) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
PubChem CID65081336
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(NCC2CCC2)CC1
InChIInChI=1S/C13H25N/c1-11-4-2-7-13(9-8-11)14-10-12-5-3-6-12/h11-14H,2-10H2,1H3
InChIKeyVVCANLRGJAYYHH-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
CID 114100509
N-(2-methoxyethyl)-4-methylcycloheptan-1-amine
CID 65081207
1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine
CID 65075081
N-[(3-methylcyclopentyl)methyl]cyclohexanamine
CID 107412033
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 64745632
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine (CID 65081336) is N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine is CC1CCCC(NCC2CCC2)CC1.
What is the InChIKey of N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine?
The InChIKey is VVCANLRGJAYYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-11-4-2-7-13(9-8-11)14-10-12-5-3-6-12/h11-14H,2-10H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine?
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65081336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).