N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine

C13H25N — CID 146640101

IUPACN-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine
SMILESCCCCN(CC1CCC1)C1(C)CC1
InChIInChI=1S/C13H25N/c1-3-4-10-14(13(2)8-9-13)11-12-6-5-7-12/h12H,3-11H2,1-2H3
InChIKeyXTKBBRQFKHGQSR-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.44
Rot. Bonds6

About N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine

N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine (PubChem CID 146640101) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine
PubChem CID146640101
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine
SMILESCCCCN(CC1CCC1)C1(C)CC1
InChIInChI=1S/C13H25N/c1-3-4-10-14(13(2)8-9-13)11-12-6-5-7-12/h12H,3-11H2,1-2H3
InChIKeyXTKBBRQFKHGQSR-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-(cyclohexylmethyl)cyclohexanamine;hydrochloride
CID 174640221
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N-butyl-N-(cyclohexylmethyl)hydroxylamine
CID 172752366
N-ethyl-1-methyl-N-propylcyclopropan-1-amine
CID 177037392
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 107397761
N-(cyclobutylmethyl)-N-[(2-methylpyrrolidin-2-yl)methyl]ethanamine
CID 107399295
N-(cyclohexylmethyl)-N-pentylhydroxylamine
CID 172717910
1-(aminomethyl)-N-(cyclopentylmethyl)-4-ethyl-N-propylcyclohexan-1-amine
CID 63485457
N-(cyclopropylmethyl)-N-methylsulfanylbutan-1-amine
CID 155007280
1-N,1-N,2-N,2-N-tetrabutyl-1-chlorocyclohexane-1,2-diamine
CID 90886504
N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
CID 94810456

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine?
The IUPAC name of N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine (CID 146640101) is N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine?
The canonical SMILES for N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine is CCCCN(CC1CCC1)C1(C)CC1.
What is the InChIKey of N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine?
The InChIKey is XTKBBRQFKHGQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-4-10-14(13(2)8-9-13)11-12-6-5-7-12/h12H,3-11H2,1-2H3.
What are the key properties of N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine?
N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(cyclobutylmethyl)-1-methylcyclopropan-1-amine is sourced from PubChem (CID 146640101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).