1-cyclopropyl-3-pyridin-3-ylpropan-2-amine

C11H16N2 — CID 64906812

IUPAC1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
SMILESNC(Cc1cccnc1)CC1CC1
InChIInChI=1S/C11H16N2/c12-11(6-9-3-4-9)7-10-2-1-5-13-8-10/h1-2,5,8-9,11H,3-4,6-7,12H2
InChIKeyDVAJZYIXPBAWFI-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine

1-cyclopropyl-3-pyridin-3-ylpropan-2-amine (PubChem CID 64906812) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
PubChem CID64906812
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
SMILESNC(Cc1cccnc1)CC1CC1
InChIInChI=1S/C11H16N2/c12-11(6-9-3-4-9)7-10-2-1-5-13-8-10/h1-2,5,8-9,11H,3-4,6-7,12H2
InChIKeyDVAJZYIXPBAWFI-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyridin-3-yl-3-(thian-4-yl)propan-2-amine
CID 105179945
1-cyclopentyl-4-pyridin-3-ylbutan-2-amine
CID 105139079
1-(oxolan-2-yl)-3-pyridin-3-ylpropan-2-amine
CID 62604735
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine (CID 64906812) is 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine is NC(Cc1cccnc1)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine?
The InChIKey is DVAJZYIXPBAWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c12-11(6-9-3-4-9)7-10-2-1-5-13-8-10/h1-2,5,8-9,11H,3-4,6-7,12H2.
What are the key properties of 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine?
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine has a molecular weight of 176.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 64906812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).