(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride

C10H15ClN2 — CID 171221041

IUPAC(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1cccnc1
InChIInChI=1S/C10H14N2.ClH/c11-10(6-8-3-4-8)9-2-1-5-12-7-9;/h1-2,5,7-8,10H,3-4,6,11H2;1H/t10-;/m0./s1
InChIKeyZLNZMGZOAMVHOH-PPHPATTJSA-N
MW198.70 g/mol
LogP2.30
Rot. Bonds3

About (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride

(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride (PubChem CID 171221041) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
PubChem CID171221041
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
SMILESCl.N[C@@H](CC1CC1)c1cccnc1
InChIInChI=1S/C10H14N2.ClH/c11-10(6-8-3-4-8)9-2-1-5-12-7-9;/h1-2,5,7-8,10H,3-4,6,11H2;1H/t10-;/m0./s1
InChIKeyZLNZMGZOAMVHOH-PPHPATTJSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
CID 130642514
(1R)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198793
(2-cyclopentyl-1-pyridin-3-ylethyl)hydrazine
CID 105196086
1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
2-cyclopentyloxy-1-pyridin-3-ylethanamine
CID 141329792

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride?
The IUPAC name of (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride (CID 171221041) is (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride.
What is the SMILES notation for (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride?
The canonical SMILES for (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride is Cl.N[C@@H](CC1CC1)c1cccnc1.
What is the InChIKey of (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride?
The InChIKey is ZLNZMGZOAMVHOH-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c11-10(6-8-3-4-8)9-2-1-5-12-7-9;/h1-2,5,7-8,10H,3-4,6,11H2;1H/t10-;/m0./s1.
What are the key properties of (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride?
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride is sourced from PubChem (CID 171221041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).