N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine

C12H21N — CID 130478456

IUPACN-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine
SMILESCC(C)(C)C#CCNCC1CCC1
InChIInChI=1S/C12H21N/c1-12(2,3)8-5-9-13-10-11-6-4-7-11/h11,13H,4,6-7,9-10H2,1-3H3
InChIKeyWSRFURCFHQRWMW-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.43
Rot. Bonds3

About N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine

N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine (PubChem CID 130478456) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine
PubChem CID130478456
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine
SMILESCC(C)(C)C#CCNCC1CCC1
InChIInChI=1S/C12H21N/c1-12(2,3)8-5-9-13-10-11-6-4-7-11/h11,13H,4,6-7,9-10H2,1-3H3
InChIKeyWSRFURCFHQRWMW-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-6,6-dimethylhept-4-yn-2-one
CID 130479047
N-(cycloheptylmethyl)but-2-yn-1-amine
CID 115866189
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
4-(cyclobutylmethylamino)-2-methylbutan-2-ol
CID 79359922
N-[[1-(4,4-dimethylpent-2-ynyl)piperidin-4-yl]methyl]propan-1-amine
CID 114190436
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114190488
(2R)-N-(cyclobutylmethyl)-3,3-dimethylbutan-2-amine
CID 95732956
3-(cycloheptylmethylamino)-2,2-dimethylpropanenitrile
CID 104587106
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine (CID 130478456) is N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine is CC(C)(C)C#CCNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine?
The InChIKey is WSRFURCFHQRWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-12(2,3)8-5-9-13-10-11-6-4-7-11/h11,13H,4,6-7,9-10H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine?
N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine is sourced from PubChem (CID 130478456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).