2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine

C13H20N2 — CID 115663663

IUPAC2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
SMILESCC(NCC(C)C1CC1)c1ccncc1
InChIInChI=1S/C13H20N2/c1-10(12-3-4-12)9-15-11(2)13-5-7-14-8-6-13/h5-8,10-12,15H,3-4,9H2,1-2H3
InChIKeyKWQJNYZBOJEJBP-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.78
Rot. Bonds5

About 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine

2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine (PubChem CID 115663663) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
PubChem CID115663663
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
SMILESCC(NCC(C)C1CC1)c1ccncc1
InChIInChI=1S/C13H20N2/c1-10(12-3-4-12)9-15-11(2)13-5-7-14-8-6-13/h5-8,10-12,15H,3-4,9H2,1-2H3
InChIKeyKWQJNYZBOJEJBP-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-phenylethyl)propan-1-amine
CID 115638910
2-cyclopropyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115623727
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941
(2R)-1-(1-pyridin-4-ylethylamino)butan-2-ol
CID 75444116
2-methylsulfinyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115896159
1-cyclohexyloxy-3-[[(1R)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81409866
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
2-cyclopropyl-N-propyl-4-pyridin-4-ylpentan-3-amine
CID 83154837
1,1,1-trifluoro-3-(1-pyridin-4-ylethylamino)propan-2-ol
CID 63901888

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine (CID 115663663) is 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine is CC(NCC(C)C1CC1)c1ccncc1.
What is the InChIKey of 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is KWQJNYZBOJEJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(12-3-4-12)9-15-11(2)13-5-7-14-8-6-13/h5-8,10-12,15H,3-4,9H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
2-cyclopropyl-N-(1-pyridin-4-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-4-ylethyl)propan-1-amine is sourced from PubChem (CID 115663663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).