N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine

C15H22N4 — CID 107064091

IUPACN-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1cn(C)nn1)NC
InChIInChI=1S/C15H22N4/c1-4-14(12-8-6-5-7-9-12)15(16-2)10-13-11-19(3)18-17-13/h5-9,11,14-16H,4,10H2,1-3H3
InChIKeyQMILDSRJMFBBCY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.14
Rot. Bonds6

About N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine

N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine (PubChem CID 107064091) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine
PubChem CID107064091
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine
SMILESCCC(c1ccccc1)C(Cc1cn(C)nn1)NC
InChIInChI=1S/C15H22N4/c1-4-14(12-8-6-5-7-9-12)15(16-2)10-13-11-19(3)18-17-13/h5-9,11,14-16H,4,10H2,1-3H3
InChIKeyQMILDSRJMFBBCY-UHFFFAOYSA-N
XLogP2.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1-methyltriazol-4-yl)-1-phenylethanamine
CID 107048557
N-[(1-methyltriazol-4-yl)methyl]-1-phenylpropan-1-amine
CID 62755644
1-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-3-phenylpentan-2-amine
CID 105023549
(1R)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79032580
(1S)-N-[(1-methyltriazol-4-yl)methyl]-1-phenylethanamine
CID 79033159
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107049210
1-(2,6-difluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 105055608
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-phenylcyclopropyl)ethanamine
CID 107049115
N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
CID 115845128
[1-(1-methyltriazol-4-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 107066129
1-(2-methyltetrazol-5-yl)-3-phenylpentan-2-amine
CID 107064725
2-(3-chlorophenyl)-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053437

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine?
The IUPAC name of N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine (CID 107064091) is N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine?
The canonical SMILES for N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine is CCC(c1ccccc1)C(Cc1cn(C)nn1)NC.
What is the InChIKey of N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine?
The InChIKey is QMILDSRJMFBBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-14(12-8-6-5-7-9-12)15(16-2)10-13-11-19(3)18-17-13/h5-9,11,14-16H,4,10H2,1-3H3.
What are the key properties of N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine?
N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyltriazol-4-yl)-3-phenylpentan-2-amine is sourced from PubChem (CID 107064091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).