N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine

C16H24N4 — CID 114689884

IUPACN-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2cnnn2CCC)c1
InChIInChI=1S/C16H24N4/c1-4-9-17-13(3)14-7-6-8-15(11-14)16-12-18-19-20(16)10-5-2/h6-8,11-13,17H,4-5,9-10H2,1-3H3
InChIKeyLSDUHOLZMUYELF-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.42
Rot. Bonds7

About N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine

N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine (PubChem CID 114689884) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine
PubChem CID114689884
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2cnnn2CCC)c1
InChIInChI=1S/C16H24N4/c1-4-9-17-13(3)14-7-6-8-15(11-14)16-12-18-19-20(16)10-5-2/h6-8,11-13,17H,4-5,9-10H2,1-3H3
InChIKeyLSDUHOLZMUYELF-UHFFFAOYSA-N
XLogP3.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine (CID 114689884) is N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-c2cnnn2CCC)c1.
What is the InChIKey of N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is LSDUHOLZMUYELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-9-17-13(3)14-7-6-8-15(11-14)16-12-18-19-20(16)10-5-2/h6-8,11-13,17H,4-5,9-10H2,1-3H3.
What are the key properties of N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-propyltriazol-4-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 114689884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).