N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine

C12H22N4 — CID 115889958

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine
SMILESCC(NCc1nncn1C1CC1)C(C)(C)C
InChIInChI=1S/C12H22N4/c1-9(12(2,3)4)13-7-11-15-14-8-16(11)10-5-6-10/h8-10,13H,5-7H2,1-4H3
InChIKeyAAMKKCPQEFZRKG-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.14
Rot. Bonds4

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

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine (PubChem CID 115889958) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine
PubChem CID115889958
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine
SMILESCC(NCc1nncn1C1CC1)C(C)(C)C
InChIInChI=1S/C12H22N4/c1-9(12(2,3)4)13-7-11-15-14-8-16(11)10-5-6-10/h8-10,13H,5-7H2,1-4H3
InChIKeyAAMKKCPQEFZRKG-UHFFFAOYSA-N
XLogP2.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine (CID 115889958) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine is CC(NCc1nncn1C1CC1)C(C)(C)C.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine?
The InChIKey is AAMKKCPQEFZRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(12(2,3)4)13-7-11-15-14-8-16(11)10-5-6-10/h8-10,13H,5-7H2,1-4H3.
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine has a molecular weight of 222.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115889958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).