N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine

C15H24N2 — CID 82741722

IUPACN-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ncccc1CC
InChIInChI=1S/C15H24N2/c1-3-9-16-14(11-12-7-8-12)15-13(4-2)6-5-10-17-15/h5-6,10,12,14,16H,3-4,7-9,11H2,1-2H3
InChIKeyOCXZCTCXTSQTNN-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.48
Rot. Bonds7

About N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine

N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 82741722) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID82741722
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ncccc1CC
InChIInChI=1S/C15H24N2/c1-3-9-16-14(11-12-7-8-12)15-13(4-2)6-5-10-17-15/h5-6,10,12,14,16H,3-4,7-9,11H2,1-2H3
InChIKeyOCXZCTCXTSQTNN-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine (CID 82741722) is N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(CC1CC1)c1ncccc1CC.
What is the InChIKey of N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is OCXZCTCXTSQTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-9-16-14(11-12-7-8-12)15-13(4-2)6-5-10-17-15/h5-6,10,12,14,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine?
N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 82741722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).