3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine

C10H20N4 — CID 102672727

IUPAC3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCn1cnc(CNCCC(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-10(2,3)5-6-11-7-9-12-8-14(4)13-9/h8,11H,5-7H2,1-4H3
InChIKeyYVNNZWXLZPUXCR-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.34
Rot. Bonds4

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

3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (PubChem CID 102672727) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
PubChem CID102672727
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
SMILESCn1cnc(CNCCC(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-10(2,3)5-6-11-7-9-12-8-14(4)13-9/h8,11H,5-7H2,1-4H3
InChIKeyYVNNZWXLZPUXCR-UHFFFAOYSA-N
XLogP1.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 59539259
4,4-dimethyl-5-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pentanenitrile
CID 103884381
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
1-(3,4-dimethylphenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884413
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884596
1-[4-(methoxymethyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884557
1-tert-butyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103882156
4-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzene-1,2-diol
CID 103953804
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 103882321

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine (CID 102672727) is 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is Cn1cnc(CNCCC(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
The InChIKey is YVNNZWXLZPUXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-10(2,3)5-6-11-7-9-12-8-14(4)13-9/h8,11H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine?
3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 102672727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).