N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine

C13H27N — CID 167274692

IUPACN-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
SMILESCCCCNCC1(CC(C)C)CCC1
InChIInChI=1S/C13H27N/c1-4-5-9-14-11-13(7-6-8-13)10-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyOFIHWLBVPQYJAS-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds7

About N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine

N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine (PubChem CID 167274692) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
PubChem CID167274692
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine
SMILESCCCCNCC1(CC(C)C)CCC1
InChIInChI=1S/C13H27N/c1-4-5-9-14-11-13(7-6-8-13)10-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyOFIHWLBVPQYJAS-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]pentane-1,5-diamine
CID 82017292
2-ethyl-N'-[[1-(2-methylpropyl)cyclopentyl]methyl]butane-1,4-diamine
CID 81080504
N-[[1-(2-methylpentyl)cyclobutyl]methyl]propan-1-amine
CID 65194997
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
N-[[1-(4-methylpentyl)cyclopentyl]methyl]propan-1-amine
CID 83167921
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
CID 103821958
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
[1-[(hexylamino)methyl]cyclopentyl]methanol
CID 115358683
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
N-[[4-butyl-1-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 63523282

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine (CID 167274692) is N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine is CCCCNCC1(CC(C)C)CCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine?
The InChIKey is OFIHWLBVPQYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-9-14-11-13(7-6-8-13)10-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine?
N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclobutyl]methyl]butan-1-amine is sourced from PubChem (CID 167274692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).