2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine

C10H20N4 — CID 66193050

IUPAC2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C(C)C)nn1
InChIInChI=1S/C10H20N4/c1-8(2)5-11-6-10-7-14(9(3)4)13-12-10/h7-9,11H,5-6H2,1-4H3
InChIKeyJZSQPCOMHXGCAK-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.60
Rot. Bonds5

About 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine

2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine (PubChem CID 66193050) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine
PubChem CID66193050
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C(C)C)nn1
InChIInChI=1S/C10H20N4/c1-8(2)5-11-6-10-7-14(9(3)4)13-12-10/h7-9,11H,5-6H2,1-4H3
InChIKeyJZSQPCOMHXGCAK-UHFFFAOYSA-N
XLogP1.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine (CID 66193050) is 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine is CC(C)CNCc1cn(C(C)C)nn1.
What is the InChIKey of 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is JZSQPCOMHXGCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)5-11-6-10-7-14(9(3)4)13-12-10/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine?
2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propan-2-yltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66193050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).