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

C16H24N4 — CID 114687624

IUPACN,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(NC)C(C)(C)c1ccccc1
InChIInChI=1S/C16H24N4/c1-5-11-20-14(12-18-19-20)15(17-4)16(2,3)13-9-7-6-8-10-13/h6-10,12,15,17H,5,11H2,1-4H3
InChIKeyCNGUHBALBVGFAX-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.93
Rot. Bonds6

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

N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine (PubChem CID 114687624) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine
PubChem CID114687624
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine
SMILESCCCn1nncc1C(NC)C(C)(C)c1ccccc1
InChIInChI=1S/C16H24N4/c1-5-11-20-14(12-18-19-20)15(17-4)16(2,3)13-9-7-6-8-10-13/h6-10,12,15,17H,5,11H2,1-4H3
InChIKeyCNGUHBALBVGFAX-UHFFFAOYSA-N
XLogP2.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-1-(3-methyltriazol-4-yl)-2-phenylpropan-1-amine
CID 114687623
2-ethoxy-N,2-dimethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 114689248
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
N-methyl-1-(3-propyltriazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105038531
[2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105216314
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975556
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
1-(1-benzofuran-3-yl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688965
N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
CID 114687701

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine (CID 114687624) is N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine is CCCn1nncc1C(NC)C(C)(C)c1ccccc1.
What is the InChIKey of N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine?
The InChIKey is CNGUHBALBVGFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-11-20-14(12-18-19-20)15(17-4)16(2,3)13-9-7-6-8-10-13/h6-10,12,15,17H,5,11H2,1-4H3.
What are the key properties of N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine?
N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-phenyl-1-(3-propyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 114687624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).