N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine

C15H29N3 — CID 105137835

IUPACN-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
SMILESCCCC(C)CC(NCC)c1c(C)nn(C)c1C
InChIInChI=1S/C15H29N3/c1-7-9-11(3)10-14(16-8-2)15-12(4)17-18(6)13(15)5/h11,14,16H,7-10H2,1-6H3
InChIKeyMNKCOEGEGQIEGD-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine

N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine (PubChem CID 105137835) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
PubChem CID105137835
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
SMILESCCCC(C)CC(NCC)c1c(C)nn(C)c1C
InChIInChI=1S/C15H29N3/c1-7-9-11(3)10-14(16-8-2)15-12(4)17-18(6)13(15)5/h11,14,16H,7-10H2,1-6H3
InChIKeyMNKCOEGEGQIEGD-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-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-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105129458
1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62732283
N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105174254
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-ethyl-3-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105156786
2-(4-bromophenyl)-N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105088920
N-ethyl-2-(1-methylimidazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105167045
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160090
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105179874
3-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 83930058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine (CID 105137835) is N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine is CCCC(C)CC(NCC)c1c(C)nn(C)c1C.
What is the InChIKey of N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine?
The InChIKey is MNKCOEGEGQIEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-7-9-11(3)10-14(16-8-2)15-12(4)17-18(6)13(15)5/h11,14,16H,7-10H2,1-6H3.
What are the key properties of N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine?
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine is sourced from PubChem (CID 105137835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).