1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C17H26N4 — CID 43703252

IUPAC1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NC(C)c2nncn2C)cc1
InChIInChI=1S/C17H26N4/c1-12(2)10-15-6-8-16(9-7-15)13(3)19-14(4)17-20-18-11-21(17)5/h6-9,11-14,19H,10H2,1-5H3
InChIKeyZZISMODYGMDVST-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.43
Rot. Bonds6

About 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 43703252) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID43703252
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NC(C)c2nncn2C)cc1
InChIInChI=1S/C17H26N4/c1-12(2)10-15-6-8-16(9-7-15)13(3)19-14(4)17-20-18-11-21(17)5/h6-9,11-14,19H,10H2,1-5H3
InChIKeyZZISMODYGMDVST-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43703199
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 43703063
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091749
N-[(4-ethylphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703003
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104753454
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-phenylbutan-1-amine
CID 43702946
1-(3-methylthiophen-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63992848
4-(bromomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 102851127
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119574
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
2-bromo-4-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 55148682

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 43703252) is 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is CC(C)Cc1ccc(C(C)NC(C)c2nncn2C)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is ZZISMODYGMDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12(2)10-15-6-8-16(9-7-15)13(3)19-14(4)17-20-18-11-21(17)5/h6-9,11-14,19H,10H2,1-5H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43703252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).