1-cyclobutyl-3-pyridin-4-ylpropan-1-amine

C12H18N2 — CID 105187569

IUPAC1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
SMILESNC(CCc1ccncc1)C1CCC1
InChIInChI=1S/C12H18N2/c13-12(11-2-1-3-11)5-4-10-6-8-14-9-7-10/h6-9,11-12H,1-5,13H2
InChIKeyWESPGWGIHZGPAC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.14
Rot. Bonds4

About 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine

1-cyclobutyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 105187569) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
PubChem CID105187569
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
SMILESNC(CCc1ccncc1)C1CCC1
InChIInChI=1S/C12H18N2/c13-12(11-2-1-3-11)5-4-10-6-8-14-9-7-10/h6-9,11-12H,1-5,13H2
InChIKeyWESPGWGIHZGPAC-UHFFFAOYSA-N
XLogP2.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-cyclohexyl-4-pyridin-4-ylbutan-2-amine
CID 105135881
1-cyclobutyl-3-(4-methoxyphenyl)propan-1-amine
CID 65446100
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631
4-pyridin-4-ylbutan-2-amine;hydrobromide
CID 122657673
1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
4-amino-4-cyclopropyl-1-pyridin-4-ylbutan-2-one
CID 116608929
1-pyridin-4-ylhexan-3-amine
CID 105080578
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine (CID 105187569) is 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine is NC(CCc1ccncc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is WESPGWGIHZGPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-12(11-2-1-3-11)5-4-10-6-8-14-9-7-10/h6-9,11-12H,1-5,13H2.
What are the key properties of 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine?
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105187569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).