1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine

C14H28N4 — CID 114213459

IUPAC1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCCn1nncc1C(CC(C)CC(C)(C)C)NC
InChIInChI=1S/C14H28N4/c1-7-18-13(10-16-17-18)12(15-6)8-11(2)9-14(3,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyQUJUYOWNHAYYAJ-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.02
Rot. Bonds6

About 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine

1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine (PubChem CID 114213459) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
PubChem CID114213459
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
SMILESCCn1nncc1C(CC(C)CC(C)(C)C)NC
InChIInChI=1S/C14H28N4/c1-7-18-13(10-16-17-18)12(15-6)8-11(2)9-14(3,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyQUJUYOWNHAYYAJ-UHFFFAOYSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol
CID 114213613
N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
CID 105038801
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
1-(1-ethylimidazol-2-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 115860234
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
2-cyclohexyl-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213525
2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213157
2-N,2-N-diethyl-1-(3-ethyltriazol-4-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 114213225
1-(3-ethyltriazol-4-yl)-2,2-difluoropropan-1-amine
CID 130715109
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
1-isoquinolin-8-yl-N,3,5,5-tetramethylhexan-1-amine
CID 103135986

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine (CID 114213459) is 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine is CCn1nncc1C(CC(C)CC(C)(C)C)NC.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine?
The InChIKey is QUJUYOWNHAYYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-18-13(10-16-17-18)12(15-6)8-11(2)9-14(3,4)5/h10-12,15H,7-9H2,1-6H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine?
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine is sourced from PubChem (CID 114213459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).