2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine

C12H25N5 — CID 115682285

IUPAC2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CNCc1cnnn1C)N(C)C
InChIInChI=1S/C12H25N5/c1-10(2)6-11(16(3)4)7-13-8-12-9-14-15-17(12)5/h9-11,13H,6-8H2,1-5H3
InChIKeyNNOVKKRYZXZLDX-UHFFFAOYSA-N
MW239.37 g/mol
LogP0.88
Rot. Bonds7

About 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine (PubChem CID 115682285) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
PubChem CID115682285
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(CNCc1cnnn1C)N(C)C
InChIInChI=1S/C12H25N5/c1-10(2)6-11(16(3)4)7-13-8-12-9-14-15-17(12)5/h9-11,13H,6-8H2,1-5H3
InChIKeyNNOVKKRYZXZLDX-UHFFFAOYSA-N
XLogP0.88
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine 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-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 115682110
2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 43771693
2-N,2-N,4-trimethyl-1-N-(pyrazin-2-ylmethyl)pentane-1,2-diamine
CID 62761622
N,N-dimethyl-2-[(3-methyltriazol-4-yl)methylamino]acetamide
CID 115682148
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
2-N,2-N,4-trimethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43207889
2-N,2-N,4-trimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]pentane-1,2-diamine
CID 43094406
N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 115682190
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
2-N,2-N,4-trimethyl-1-N-[(2,4,5-trifluorophenyl)methyl]pentane-1,2-diamine
CID 103792523

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine (CID 115682285) is 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine is CC(C)CC(CNCc1cnnn1C)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine?
The InChIKey is NNOVKKRYZXZLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-10(2)6-11(16(3)4)7-13-8-12-9-14-15-17(12)5/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine has a molecular weight of 239.37 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-[(3-methyltriazol-4-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 115682285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).