2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine

C16H29N3 — CID 81013040

IUPAC2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCc1cc(CC2CC(C)(C)CCC2N)n(CC)n1
InChIInChI=1S/C16H29N3/c1-5-13-10-14(19(6-2)18-13)9-12-11-16(3,4)8-7-15(12)17/h10,12,15H,5-9,11,17H2,1-4H3
InChIKeyXENCIZIJQVKMJX-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds4

About 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine

2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 81013040) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID81013040
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCc1cc(CC2CC(C)(C)CCC2N)n(CC)n1
InChIInChI=1S/C16H29N3/c1-5-13-10-14(19(6-2)18-13)9-12-11-16(3,4)8-7-15(12)17/h10,12,15H,5-9,11,17H2,1-4H3
InChIKeyXENCIZIJQVKMJX-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]ethanamine
CID 81018330
1-[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016860
3-amino-1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentan-1-ol
CID 80561654
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107059021
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81014857
N-[(1,3-diethylpyrazol-5-yl)methyl]-1-(2,2-dimethylcyclopropyl)methanamine
CID 114108034
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
3-[(1,3-diethylpyrazol-5-yl)methyl]pyrrolidin-2-one
CID 104679348
4-[(1,3-diethylpyrazol-5-yl)methyl]-2,6-dimethylpiperidine
CID 114272276

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 81013040) is 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine is CCc1cc(CC2CC(C)(C)CCC2N)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is XENCIZIJQVKMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-13-10-14(19(6-2)18-13)9-12-11-16(3,4)8-7-15(12)17/h10,12,15H,5-9,11,17H2,1-4H3.
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81013040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).