4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine

C16H29N3 — CID 43435287

IUPAC4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccnn2C)CC1
InChIInChI=1S/C16H29N3/c1-5-16(2,3)13-6-8-14(9-7-13)17-12-15-10-11-18-19(15)4/h10-11,13-14,17H,5-9,12H2,1-4H3
InChIKeyVDFQQYAGRYHXEB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.50
Rot. Bonds5

About 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine

4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 43435287) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID43435287
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCc2ccnn2C)CC1
InChIInChI=1S/C16H29N3/c1-5-16(2,3)13-6-8-14(9-7-13)17-12-15-10-11-18-19(15)4/h10-11,13-14,17H,5-9,12H2,1-4H3
InChIKeyVDFQQYAGRYHXEB-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-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-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114555002
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
4-(2-methylbutan-2-yl)-N-(1,2-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 103605629
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43747132
N-(furan-3-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63424145
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884490
N-[(3-cyclopropylimidazol-4-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 66164278
N-[(4-ethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43224673
N-[(5-ethylfuran-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63423900
4-(2-methylbutan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 43224675

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 43435287) is 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine is CCC(C)(C)C1CCC(NCc2ccnn2C)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is VDFQQYAGRYHXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-16(2,3)13-6-8-14(9-7-13)17-12-15-10-11-18-19(15)4/h10-11,13-14,17H,5-9,12H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine?
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43435287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).