N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine

C12H24N4 — CID 114690382

IUPACN-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
SMILESCCCC(CCc1cnnn1CCC)NC
InChIInChI=1S/C12H24N4/c1-4-6-11(13-3)7-8-12-10-14-15-16(12)9-5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyDHFIKYQWWLYKAW-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.01
Rot. Bonds8

About N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine

N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine (PubChem CID 114690382) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
PubChem CID114690382
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine
SMILESCCCC(CCc1cnnn1CCC)NC
InChIInChI=1S/C12H24N4/c1-4-6-11(13-3)7-8-12-10-14-15-16(12)9-5-2/h10-11,13H,4-9H2,1-3H3
InChIKeyDHFIKYQWWLYKAW-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine?
The IUPAC name of N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine (CID 114690382) is N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine.
What is the SMILES notation for N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine?
The canonical SMILES for N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine is CCCC(CCc1cnnn1CCC)NC.
What is the InChIKey of N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine?
The InChIKey is DHFIKYQWWLYKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-4-6-11(13-3)7-8-12-10-14-15-16(12)9-5-2/h10-11,13H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine?
N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propyltriazol-4-yl)hexan-3-amine is sourced from PubChem (CID 114690382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).