4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine

C17H26N4 — CID 107064323

IUPAC4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(C)cc1)Cc1cn(C)nn1
InChIInChI=1S/C17H26N4/c1-4-11-18-16(12-17-13-21(3)20-19-17)10-9-15-7-5-14(2)6-8-15/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyDXZGOXQIXXXMQG-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.67
Rot. Bonds8

About 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine

4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine (PubChem CID 107064323) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
PubChem CID107064323
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1ccc(C)cc1)Cc1cn(C)nn1
InChIInChI=1S/C17H26N4/c1-4-11-18-16(12-17-13-21(3)20-19-17)10-9-15-7-5-14(2)6-8-15/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyDXZGOXQIXXXMQG-UHFFFAOYSA-N
XLogP2.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
1-(3,4-dichlorophenyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107048898
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999
4-(2-methoxyethoxy)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine
CID 107051391
4-(4-methoxyphenyl)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107063943
1-(2-chlorophenyl)sulfanyl-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107049700
6-methyl-1-(4-methylphenyl)-N-propylheptan-3-amine
CID 105127031
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
1-(furan-2-yl)-4-(4-methylphenyl)-N-propylbutan-2-amine
CID 105177408
7-methyl-1-(4-methylphenyl)-N-propyloctan-3-amine
CID 105177113
1-(2-methyltetrazol-5-yl)-4-phenyl-N-propylbutan-2-amine
CID 107048747
4-(4-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165398

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine (CID 107064323) is 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine is CCCNC(CCc1ccc(C)cc1)Cc1cn(C)nn1.
What is the InChIKey of 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is DXZGOXQIXXXMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-11-18-16(12-17-13-21(3)20-19-17)10-9-15-7-5-14(2)6-8-15/h5-8,13,16,18H,4,9-12H2,1-3H3.
What are the key properties of 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine?
4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(1-methyltriazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 107064323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).