N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine

C13H18N4 — CID 114690435

IUPACN,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine
SMILESCNCC(C)Cc1cnnn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-11(9-14-2)8-13-10-15-16-17(13)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3
InChIKeyHBCBGWQAFCIYDL-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.67
Rot. Bonds5

About N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine

N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine (PubChem CID 114690435) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine
PubChem CID114690435
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine
SMILESCNCC(C)Cc1cnnn1-c1ccccc1
InChIInChI=1S/C13H18N4/c1-11(9-14-2)8-13-10-15-16-17(13)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3
InChIKeyHBCBGWQAFCIYDL-UHFFFAOYSA-N
XLogP1.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(3-phenyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 114690443
5-(3-bromobutyl)-1-phenyltriazole
CID 114690605
5-(3-chloro-4-methylpentyl)-1-phenyltriazole
CID 114690591
N-[(3-phenyltriazol-4-yl)methyl]propan-1-amine
CID 114687766
2-(3-phenyltriazol-4-yl)ethanol
CID 24754561
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
N-[(3-phenyltriazol-4-yl)methyl]methanesulfonamide
CID 110874281
2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 107331259
4-methyl-1-(3-phenyltriazol-4-yl)-N-propylpentan-3-amine
CID 114690410
2-(3-phenyltriazol-4-yl)acetaldehyde
CID 114690061
1-(3-phenyltriazol-4-yl)pentan-3-ol
CID 114690535
5-(3-bromo-4,4-dimethylpentyl)-1-phenyltriazole
CID 114690627

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine (CID 114690435) is N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine is CNCC(C)Cc1cnnn1-c1ccccc1.
What is the InChIKey of N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine?
The InChIKey is HBCBGWQAFCIYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(9-14-2)8-13-10-15-16-17(13)12-6-4-3-5-7-12/h3-7,10-11,14H,8-9H2,1-2H3.
What are the key properties of N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine?
N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(3-phenyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 114690435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).