N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine

C9H16N4 — CID 66744780

IUPACN,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine
SMILESC=C(C)c1cnnn1CCN(C)C
InChIInChI=1S/C9H16N4/c1-8(2)9-7-10-11-13(9)6-5-12(3)4/h7H,1,5-6H2,2-4H3
InChIKeyKXVOQOZFERLDBA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.87
Rot. Bonds4

About N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine

N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine (PubChem CID 66744780) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine
PubChem CID66744780
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine
SMILESC=C(C)c1cnnn1CCN(C)C
InChIInChI=1S/C9H16N4/c1-8(2)9-7-10-11-13(9)6-5-12(3)4/h7H,1,5-6H2,2-4H3
InChIKeyKXVOQOZFERLDBA-UHFFFAOYSA-N
XLogP0.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Ethyl-3H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10058412
5-(1-Ethyl-1H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10375325
5-(1-Fluoroethyl)-1-(2-methylpropyl)triazole
CID 170396244
4,5-dimethyl-6H-pyrrolo[1,2-c][1,2,3]triazole
CID 12356911
5-Ethenyl-1-octyltriazole
CID 101486880
1-Butyl-4-ethenyltriazole
CID 21679664
1-Butyl-5-ethenyltriazole
CID 21679665
5-ethyl-1-methyl-1H-1,2,3-triazole
CID 10772946
1,5-Diethyltriazole
CID 20184453
1,5-Di(propan-2-yl)triazole
CID 20718846
5-Tert-butyl-1-(2,2-dimethylpropyl)triazole
CID 58318282
1-(2,2-Dimethylpropyl)-4-ethyltriazole
CID 58459526

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine (CID 66744780) is N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine is C=C(C)c1cnnn1CCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine?
The InChIKey is KXVOQOZFERLDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-8(2)9-7-10-11-13(9)6-5-12(3)4/h7H,1,5-6H2,2-4H3.
What are the key properties of N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine?
N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-prop-1-en-2-yltriazol-1-yl)ethanamine is sourced from PubChem (CID 66744780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).