2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine

C15H30N4 — CID 107053176

IUPAC2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)Cc1cn(C)nn1
InChIInChI=1S/C15H30N4/c1-6-8-9-15(7-2,12-16-13(3)4)10-14-11-19(5)18-17-14/h11,13,16H,6-10,12H2,1-5H3
InChIKeyKSGFVWORNAKVKQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.94
Rot. Bonds9

About 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine

2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine (PubChem CID 107053176) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine
PubChem CID107053176
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine
SMILESCCCCC(CC)(CNC(C)C)Cc1cn(C)nn1
InChIInChI=1S/C15H30N4/c1-6-8-9-15(7-2,12-16-13(3)4)10-14-11-19(5)18-17-14/h11,13,16H,6-10,12H2,1-5H3
InChIKeyKSGFVWORNAKVKQ-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
2-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507912
2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507222
2,3-dimethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylbutan-1-amine
CID 107053556
2-butyl-2,4-diethyl-N-propan-2-ylhexan-1-amine
CID 82930458
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,2-diethylhexan-1-amine
CID 64777521
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
1-chloro-2-(chloromethyl)-N-[(1-methyltriazol-4-yl)methyl]butan-2-amine
CID 107867129
4-[2-(chloromethyl)-2-methylpentyl]-1-methyltriazole
CID 107057943
3,3-dimethyl-4-(1-methyltriazol-4-yl)butan-1-amine
CID 107059032
2,3-dimethyl-1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045738

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine (CID 107053176) is 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine is CCCCC(CC)(CNC(C)C)Cc1cn(C)nn1.
What is the InChIKey of 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine?
The InChIKey is KSGFVWORNAKVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-8-9-15(7-2,12-16-13(3)4)10-14-11-19(5)18-17-14/h11,13,16H,6-10,12H2,1-5H3.
What are the key properties of 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine?
2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 107053176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).