3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine

C9H18N4 — CID 107059032

IUPAC3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
SMILESCn1cc(CC(C)(C)CCN)nn1
InChIInChI=1S/C9H18N4/c1-9(2,4-5-10)6-8-7-13(3)12-11-8/h7H,4-6,10H2,1-3H3
InChIKeyOAUJBOACNMZALE-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.73
Rot. Bonds4

About 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine

3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine (PubChem CID 107059032) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
PubChem CID107059032
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
SMILESCn1cc(CC(C)(C)CCN)nn1
InChIInChI=1S/C9H18N4/c1-9(2,4-5-10)6-8-7-13(3)12-11-8/h7H,4-6,10H2,1-3H3
InChIKeyOAUJBOACNMZALE-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
4-[2-(chloromethyl)-2-methylpentyl]-1-methyltriazole
CID 107057943
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
CID 70457819
1-(tert-butylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057682
4-methoxy-2-methyl-1-(1-methyltriazol-4-yl)butan-2-ol
CID 107045742
3-amino-3-methyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107061890
2,2-difluoro-3-(1-methyltriazol-4-yl)propanoic acid
CID 165462011
2-cyclopropyl-2-fluoro-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107061549
2-cyclopropyl-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107045723
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738
1-(cyclopropylamino)-2-methyl-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057678

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine (CID 107059032) is 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine is Cn1cc(CC(C)(C)CCN)nn1.
What is the InChIKey of 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The InChIKey is OAUJBOACNMZALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-9(2,4-5-10)6-8-7-13(3)12-11-8/h7H,4-6,10H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine?
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 107059032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).