N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine

C14H28N4 — CID 105043720

IUPACN-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1cnnn1C
InChIInChI=1S/C14H28N4/c1-7-15-12(13-10-16-17-18(13)6)8-11(2)9-14(3,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyXJIJWTQBSHXAIS-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine

N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine (PubChem CID 105043720) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
PubChem CID105043720
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
SMILESCCNC(CC(C)CC(C)(C)C)c1cnnn1C
InChIInChI=1S/C14H28N4/c1-7-15-12(13-10-16-17-18(13)6)8-11(2)9-14(3,4)5/h10-12,15H,7-9H2,1-6H3
InChIKeyXJIJWTQBSHXAIS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
CID 105038801
N,3,3-trimethyl-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114687748
3-methyl-1-(3-methyltriazol-4-yl)-N-propylpentan-1-amine
CID 105043705
[3,3-dimethyl-1-(3-methyltriazol-4-yl)butyl]hydrazine
CID 105220254
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
CID 43489064
N-ethyl-3,5,5-trimethyl-1-pyrazin-2-ylhexan-1-amine
CID 115860523
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
N-ethyl-4-methyl-4-(3-methyltriazol-4-yl)pentan-2-amine
CID 114690474
N-ethyl-3,5,5-trimethyl-1-(4-methylphenyl)hexan-1-amine
CID 43489288
1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol
CID 114213613
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
CID 105047933

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine?
The IUPAC name of N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine (CID 105043720) is N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine is CCNC(CC(C)CC(C)(C)C)c1cnnn1C.
What is the InChIKey of N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine?
The InChIKey is XJIJWTQBSHXAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-15-12(13-10-16-17-18(13)6)8-11(2)9-14(3,4)5/h10-12,15H,7-9H2,1-6H3.
What are the key properties of N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine?
N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine is sourced from PubChem (CID 105043720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).