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

C16H32N4 — CID 105038801

IUPACN-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
SMILESCCCn1nncc1C(CC(C)CC(C)(C)C)NCC
InChIInChI=1S/C16H32N4/c1-7-9-20-15(12-18-19-20)14(17-8-2)10-13(3)11-16(4,5)6/h12-14,17H,7-11H2,1-6H3
InChIKeyNCDASBFJUYIIQP-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.80
Rot. Bonds8

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

N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine (PubChem CID 105038801) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
PubChem CID105038801
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC NameN-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine
SMILESCCCn1nncc1C(CC(C)CC(C)(C)C)NCC
InChIInChI=1S/C16H32N4/c1-7-9-20-15(12-18-19-20)14(17-8-2)10-13(3)11-16(4,5)6/h12-14,17H,7-11H2,1-6H3
InChIKeyNCDASBFJUYIIQP-UHFFFAOYSA-N
XLogP3.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3,5,5-trimethyl-1-(3-methyltriazol-4-yl)hexan-1-amine
CID 105043720
1-(3-ethyltriazol-4-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 114213459
N-ethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 114688493
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705
3,5,5-trimethyl-N-propyl-1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857679
1-(3-ethyltriazol-4-yl)-3,5,5-trimethylhexan-1-ol
CID 114213613
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598
N-ethyl-3,5,5-trimethyl-1-phenylhexan-1-amine
CID 43489064
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687571
N-ethyl-3-(2-methylphenyl)-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182279

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine?
The IUPAC name of N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine (CID 105038801) is N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine is CCCn1nncc1C(CC(C)CC(C)(C)C)NCC.
What is the InChIKey of N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine?
The InChIKey is NCDASBFJUYIIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-7-9-20-15(12-18-19-20)14(17-8-2)10-13(3)11-16(4,5)6/h12-14,17H,7-11H2,1-6H3.
What are the key properties of N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine?
N-ethyl-3,5,5-trimethyl-1-(3-propyltriazol-4-yl)hexan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 3.80, 8 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-propyltriazol-4-yl)hexan-1-amine is sourced from PubChem (CID 105038801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).