1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine

C11H16N2 — CID 83906157

IUPAC1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine
SMILESNC1(CCCc2ccncc2)CC1
InChIInChI=1S/C11H16N2/c12-11(6-7-11)5-1-2-10-3-8-13-9-4-10/h3-4,8-9H,1-2,5-7,12H2
InChIKeyVKNFTEXXWUDLDL-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.90
Rot. Bonds4

About 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine

1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine (PubChem CID 83906157) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine
PubChem CID83906157
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine
SMILESNC1(CCCc2ccncc2)CC1
InChIInChI=1S/C11H16N2/c12-11(6-7-11)5-1-2-10-3-8-13-9-4-10/h3-4,8-9H,1-2,5-7,12H2
InChIKeyVKNFTEXXWUDLDL-UHFFFAOYSA-N
XLogP1.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 83907225
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
1-[2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 64679118
4,4-difluoro-1-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 66570375
1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine
CID 83908581
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624
4-pyridin-4-ylbutylazanium chloride
CID 23273592
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
CID 67420694
(2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide
CID 95804902

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine (CID 83906157) is 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine is NC1(CCCc2ccncc2)CC1.
What is the InChIKey of 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine?
The InChIKey is VKNFTEXXWUDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-11(6-7-11)5-1-2-10-3-8-13-9-4-10/h3-4,8-9H,1-2,5-7,12H2.
What are the key properties of 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine?
1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine has a molecular weight of 176.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 83906157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).