N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

C16H29N3 — CID 115762388

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCCn1nccc1CNC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29N3/c1-5-19-14(8-9-18-19)11-17-16-10-13(4)6-7-15(16)12(2)3/h8-9,12-13,15-17H,5-7,10-11H2,1-4H3
InChIKeyLYIQSEZROFKQIC-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 115762388) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID115762388
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCCn1nccc1CNC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29N3/c1-5-19-14(8-9-18-19)11-17-16-10-13(4)6-7-15(16)12(2)3/h8-9,12-13,15-17H,5-7,10-11H2,1-4H3
InChIKeyLYIQSEZROFKQIC-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-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-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
5-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43080707
N-[(2-ethylpyrazol-3-yl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 113334912
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 104577704
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976560
N-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 60960720
2-[(2-ethylpyrazol-3-yl)methylamino]cyclopentane-1-carbonitrile
CID 104586979
(2R)-N-[(2-ethylpyrazol-3-yl)methyl]-3-methylbutan-2-amine
CID 97358257
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 115762388) is N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is CCn1nccc1CNC1CC(C)CCC1C(C)C.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is LYIQSEZROFKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-19-14(8-9-18-19)11-17-16-10-13(4)6-7-15(16)12(2)3/h8-9,12-13,15-17H,5-7,10-11H2,1-4H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 115762388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).