3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine

C11H22N4 — CID 65039892

IUPAC3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1cn(C)nn1
InChIInChI=1S/C11H22N4/c1-5-11(6-2,7-3)12-8-10-9-15(4)14-13-10/h9,12H,5-8H2,1-4H3
InChIKeyVQBJIBYIPRBJAS-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.87
Rot. Bonds6

About 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine

3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine (PubChem CID 65039892) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
PubChem CID65039892
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1cn(C)nn1
InChIInChI=1S/C11H22N4/c1-5-11(6-2,7-3)12-8-10-9-15(4)14-13-10/h9,12H,5-8H2,1-4H3
InChIKeyVQBJIBYIPRBJAS-UHFFFAOYSA-N
XLogP1.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-2-(chloromethyl)-N-[(1-methyltriazol-4-yl)methyl]butan-2-amine
CID 107867129
2-ethyl-2-[(1-methyltriazol-4-yl)methylamino]butanoic acid
CID 107045011
2-methyl-N-[(1-methyltriazol-4-yl)methyl]but-3-yn-2-amine
CID 63997875
2,4,4-trimethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-2-amine
CID 62755426
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
CID 103399061
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
ethane;4-ethyl-1-methyltriazole
CID 143593274
N-[(1-methyltriazol-4-yl)methyl]pyrimidin-2-amine
CID 127015751
ethane;1-methyl-4-propyltriazole
CID 168923376
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
(2S)-2-[(1-methyltriazol-4-yl)methylamino]butan-1-ol
CID 104980852
2-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054191

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine (CID 65039892) is 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1cn(C)nn1.
What is the InChIKey of 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine?
The InChIKey is VQBJIBYIPRBJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-5-11(6-2,7-3)12-8-10-9-15(4)14-13-10/h9,12H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine?
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 65039892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).