N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine

C9H18N4 — CID 114690459

IUPACN-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
SMILESCNC(C)CC(C)c1cnnn1C
InChIInChI=1S/C9H18N4/c1-7(5-8(2)10-3)9-6-11-12-13(9)4/h6-8,10H,5H2,1-4H3
InChIKeyXCTYUSFCDCLFNZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.92
Rot. Bonds4

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

N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine (PubChem CID 114690459) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
PubChem CID114690459
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
SMILESCNC(C)CC(C)c1cnnn1C
InChIInChI=1S/C9H18N4/c1-7(5-8(2)10-3)9-6-11-12-13(9)4/h6-8,10H,5H2,1-4H3
InChIKeyXCTYUSFCDCLFNZ-UHFFFAOYSA-N
XLogP0.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
2-(3-methyltriazol-4-yl)propan-1-amine
CID 114691377
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
3-methyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114686985
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
N-methyl-1-(3-methyltriazol-4-yl)-2-propylpentan-1-amine
CID 105043420
N-tert-butyl-2-methyl-3-(3-methyltriazol-4-yl)butan-1-amine
CID 114691476
2-(3,5-dimethylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687515
N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
CID 105184667
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine?
The IUPAC name of N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine (CID 114690459) is N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine?
The canonical SMILES for N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine is CNC(C)CC(C)c1cnnn1C.
What is the InChIKey of N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine?
The InChIKey is XCTYUSFCDCLFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(5-8(2)10-3)9-6-11-12-13(9)4/h6-8,10H,5H2,1-4H3.
What are the key properties of N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine?
N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine has a molecular weight of 182.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine is sourced from PubChem (CID 114690459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).