1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine

C14H22N2 — CID 66272541

IUPAC1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
SMILESCCNC(CCc1cnccc1C)C1CC1
InChIInChI=1S/C14H22N2/c1-3-16-14(12-4-5-12)7-6-13-10-15-9-8-11(13)2/h8-10,12,14,16H,3-7H2,1-2H3
InChIKeyVPNAEPSJLPTWMG-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.71
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine

1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine (PubChem CID 66272541) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
PubChem CID66272541
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
SMILESCCNC(CCc1cnccc1C)C1CC1
InChIInChI=1S/C14H22N2/c1-3-16-14(12-4-5-12)7-6-13-10-15-9-8-11(13)2/h8-10,12,14,16H,3-7H2,1-2H3
InChIKeyVPNAEPSJLPTWMG-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine (CID 66272541) is 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine is CCNC(CCc1cnccc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is VPNAEPSJLPTWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-16-14(12-4-5-12)7-6-13-10-15-9-8-11(13)2/h8-10,12,14,16H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine?
1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 66272541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).