N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine

C16H29N3 — CID 82694109

IUPACN-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine
SMILESCCc1cc(CC)n(CCNCC2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-3-15-12-16(4-2)19(18-15)11-10-17-13-14-8-6-5-7-9-14/h12,14,17H,3-11,13H2,1-2H3
InChIKeyMLRXJGHSZQKFEW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.18
Rot. Bonds7

About N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine

N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine (PubChem CID 82694109) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine
PubChem CID82694109
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine
SMILESCCc1cc(CC)n(CCNCC2CCCCC2)n1
InChIInChI=1S/C16H29N3/c1-3-15-12-16(4-2)19(18-15)11-10-17-13-14-8-6-5-7-9-14/h12,14,17H,3-11,13H2,1-2H3
InChIKeyMLRXJGHSZQKFEW-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine (CID 82694109) is N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine is CCc1cc(CC)n(CCNCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine?
The InChIKey is MLRXJGHSZQKFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-15-12-16(4-2)19(18-15)11-10-17-13-14-8-6-5-7-9-14/h12,14,17H,3-11,13H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine?
N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3,5-diethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 82694109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).