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

C8H16N4 — CID 66194266

IUPACN-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn(C(C)C)nn1
InChIInChI=1S/C8H16N4/c1-4-9-5-8-6-12(7(2)3)11-10-8/h6-7,9H,4-5H2,1-3H3
InChIKeyKEWAEVWGNRNBDE-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.97
Rot. Bonds4

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

N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine (PubChem CID 66194266) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine
PubChem CID66194266
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn(C(C)C)nn1
InChIInChI=1S/C8H16N4/c1-4-9-5-8-6-12(7(2)3)11-10-8/h6-7,9H,4-5H2,1-3H3
InChIKeyKEWAEVWGNRNBDE-UHFFFAOYSA-N
XLogP0.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine (CID 66194266) is N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine is CCNCc1cn(C(C)C)nn1.
What is the InChIKey of N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine?
The InChIKey is KEWAEVWGNRNBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-9-5-8-6-12(7(2)3)11-10-8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine?
N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine has a molecular weight of 168.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-yltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66194266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).