2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine

C13H20N2 — CID 115623727

IUPAC2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
SMILESCC(NCC(C)C1CC1)c1cccnc1
InChIInChI=1S/C13H20N2/c1-10(12-5-6-12)8-15-11(2)13-4-3-7-14-9-13/h3-4,7,9-12,15H,5-6,8H2,1-2H3
InChIKeyGVVGSTSMYLMARD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.78
Rot. Bonds5

About 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine

2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine (PubChem CID 115623727) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
PubChem CID115623727
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
SMILESCC(NCC(C)C1CC1)c1cccnc1
InChIInChI=1S/C13H20N2/c1-10(12-5-6-12)8-15-11(2)13-4-3-7-14-9-13/h3-4,7,9-12,15H,5-6,8H2,1-2H3
InChIKeyGVVGSTSMYLMARD-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
(1R)-1-cyclopropyl-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 28655253
1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404785
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
2-N,2-N-dimethyl-1-N-(1-pyridin-3-ylethyl)butane-1,2-diamine
CID 115886281
1-cyclohexyloxy-3-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404417
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine (CID 115623727) is 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine is CC(NCC(C)C1CC1)c1cccnc1.
What is the InChIKey of 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine?
The InChIKey is GVVGSTSMYLMARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(12-5-6-12)8-15-11(2)13-4-3-7-14-9-13/h3-4,7,9-12,15H,5-6,8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine?
2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 115623727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).