N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine

C9H18N4 — CID 84768823

IUPACN-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine
SMILESCNCCc1nnn(C(C)C)c1C
InChIInChI=1S/C9H18N4/c1-7(2)13-8(3)9(11-12-13)5-6-10-4/h7,10H,5-6H2,1-4H3
InChIKeyBWMBNHYNCZUCSZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.93
Rot. Bonds4

About N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine

N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine (PubChem CID 84768823) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine
PubChem CID84768823
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine
SMILESCNCCc1nnn(C(C)C)c1C
InChIInChI=1S/C9H18N4/c1-7(2)13-8(3)9(11-12-13)5-6-10-4/h7,10H,5-6H2,1-4H3
InChIKeyBWMBNHYNCZUCSZ-UHFFFAOYSA-N
XLogP0.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine (CID 84768823) is N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine is CNCCc1nnn(C(C)C)c1C.
What is the InChIKey of N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine?
The InChIKey is BWMBNHYNCZUCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)13-8(3)9(11-12-13)5-6-10-4/h7,10H,5-6H2,1-4H3.
What are the key properties of N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine?
N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine has a molecular weight of 182.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-1-propan-2-yltriazol-4-yl)ethanamine is sourced from PubChem (CID 84768823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).