2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine

C16H30N4 — CID 81031393

IUPAC2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1Cc1ncnn1C
InChIInChI=1S/C16H30N4/c1-12(2)9-17-10-14-6-5-13(3)7-15(14)8-16-18-11-19-20(16)4/h11-15,17H,5-10H2,1-4H3
InChIKeyMBDUTXDURZOAQP-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.66
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 81031393) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID81031393
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1Cc1ncnn1C
InChIInChI=1S/C16H30N4/c1-12(2)9-17-10-14-6-5-13(3)7-15(14)8-16-18-11-19-20(16)4/h11-15,17H,5-10H2,1-4H3
InChIKeyMBDUTXDURZOAQP-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027307
2-methyl-N-[[2-[(1-propylimidazol-2-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81022292
N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034599
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 81014034
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033831
2-methyl-N-[[4-methyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-1-amine
CID 81032219
N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81016803
2-methyl-N-[[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81028498
2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
CID 81031315
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
2-methyl-N-[[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 114535095
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81010248

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine (CID 81031393) is 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine is CC(C)CNCC1CCC(C)CC1Cc1ncnn1C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is MBDUTXDURZOAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)9-17-10-14-6-5-13(3)7-15(14)8-16-18-11-19-20(16)4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81031393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).