N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine

C11H22N4 — CID 155417949

IUPACN-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine
SMILESCCC(C)N(C)n1cc(C(C)(C)C)nn1
InChIInChI=1S/C11H22N4/c1-7-9(2)14(6)15-8-10(12-13-15)11(3,4)5/h8-9H,7H2,1-6H3
InChIKeyDNIZPNYJIVWVIP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.94
Rot. Bonds3

About N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine

N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine (PubChem CID 155417949) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine
PubChem CID155417949
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine
SMILESCCC(C)N(C)n1cc(C(C)(C)C)nn1
InChIInChI=1S/C11H22N4/c1-7-9(2)14(6)15-8-10(12-13-15)11(3,4)5/h8-9H,7H2,1-6H3
InChIKeyDNIZPNYJIVWVIP-UHFFFAOYSA-N
XLogP1.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(1,4-ditert-butyltriazole);methane
CID 158842263
4-tert-butyl-1-(3,3-dimethylbutyl)triazole
CID 90801752
2-(4-tert-butyltriazol-1-yl)propane-2-thiol
CID 170097807
4-tert-butyl-1-(4-propan-2-ylphenyl)triazole
CID 168749776
1-[(2S)-5-(4-tert-butyltriazol-1-yl)-5-methylhexan-2-yl]-4-ethyltriazole
CID 174013771
4-(2,4-dimethylpentan-2-yl)-1-ethyltriazole
CID 167175211
4-tert-butyl-1-methyltriazole;4-(2,2-dimethylpropyl)-1-methyltriazole
CID 160685427
2-(1-propan-2-yltriazol-4-yl)butan-2-ol
CID 130560981
ethyl 3-(4-tert-butyltriazol-1-yl)-2,2-difluoropropanoate
CID 165487923
4-tert-butyl-1-(4-tert-butylphenyl)triazole
CID 162480796
N-[2-(4-tert-butyltriazol-1-yl)ethyl]-2,4-dimethylpentanamide
CID 146153302
[2-[butan-2-yl(methyl)amino]-6-tert-butyl-4-pyridinyl]methanol
CID 113380443

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine?
The IUPAC name of N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine (CID 155417949) is N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine.
What is the SMILES notation for N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine?
The canonical SMILES for N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine is CCC(C)N(C)n1cc(C(C)(C)C)nn1.
What is the InChIKey of N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine?
The InChIKey is DNIZPNYJIVWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-7-9(2)14(6)15-8-10(12-13-15)11(3,4)5/h8-9H,7H2,1-6H3.
What are the key properties of N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine?
N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-tert-butyl-N-methyltriazol-1-amine is sourced from PubChem (CID 155417949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).