N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine

C12H23N — CID 65459186

IUPACN-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
SMILESCCC(CC1CC1)NCC1CCC1
InChIInChI=1S/C12H23N/c1-2-12(8-10-6-7-10)13-9-11-4-3-5-11/h10-13H,2-9H2,1H3
InChIKeyQGADAFWZWGZVJQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds6

About N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine

N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine (PubChem CID 65459186) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
PubChem CID65459186
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
SMILESCCC(CC1CC1)NCC1CCC1
InChIInChI=1S/C12H23N/c1-2-12(8-10-6-7-10)13-9-11-4-3-5-11/h10-13H,2-9H2,1H3
InChIKeyQGADAFWZWGZVJQ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
3-(cycloheptylmethylamino)pentan-1-ol
CID 115685732
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
N-(cyclobutylmethyl)-1-phenylbutan-2-amine
CID 79007195
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
2-N-(cyclopropylmethyl)-1-N-ethyl-1-N-methylbutane-1,2-diamine
CID 167503112

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine (CID 65459186) is N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine is CCC(CC1CC1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine?
The InChIKey is QGADAFWZWGZVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-12(8-10-6-7-10)13-9-11-4-3-5-11/h10-13H,2-9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine?
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine is sourced from PubChem (CID 65459186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).