2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine

C12H24N4 — CID 62755426

IUPAC2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine
SMILESCn1cc(CNC(C)(C)CC(C)(C)C)nn1
InChIInChI=1S/C12H24N4/c1-11(2,3)9-12(4,5)13-7-10-8-16(6)15-14-10/h8,13H,7,9H2,1-6H3
InChIKeyOPLIAHIERCZZPT-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.12
Rot. Bonds4

About 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine

2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine (PubChem CID 62755426) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine
PubChem CID62755426
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine
SMILESCn1cc(CNC(C)(C)CC(C)(C)C)nn1
InChIInChI=1S/C12H24N4/c1-11(2,3)9-12(4,5)13-7-10-8-16(6)15-14-10/h8,13H,7,9H2,1-6H3
InChIKeyOPLIAHIERCZZPT-UHFFFAOYSA-N
XLogP2.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-methyltriazol-4-yl)methyl]but-3-yn-2-amine
CID 63997875
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
1-chloro-2-(chloromethyl)-N-[(1-methyltriazol-4-yl)methyl]butan-2-amine
CID 107867129
N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
CID 127015751
2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid
CID 107045011
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylpropan-1-ol
CID 66268917
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
1-methyl-4-(2,4,4-trimethylpentan-2-yl)triazole
CID 134560662
N-tert-butyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107054859
5-methyl-N-[(1-methyltriazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934107

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine (CID 62755426) is 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine is Cn1cc(CNC(C)(C)CC(C)(C)C)nn1.
What is the InChIKey of 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine?
The InChIKey is OPLIAHIERCZZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-11(2,3)9-12(4,5)13-7-10-8-16(6)15-14-10/h8,13H,7,9H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine?
2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine has a molecular weight of 224.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine is sourced from PubChem (CID 62755426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).