2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

C16H27N3 — CID 61284102

IUPAC2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESc1cc(CNC2CCCCC2C2CCCCC2)[nH]n1
InChIInChI=1S/C16H27N3/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-12-14-10-11-18-19-14/h10-11,13,15-17H,1-9,12H2,(H,18,19)
InChIKeyVJQFOEKJEIRJJT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine

2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 61284102) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID61284102
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
SMILESc1cc(CNC2CCCCC2C2CCCCC2)[nH]n1
InChIInChI=1S/C16H27N3/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-12-14-10-11-18-19-14/h10-11,13,15-17H,1-9,12H2,(H,18,19)
InChIKeyVJQFOEKJEIRJJT-UHFFFAOYSA-N
XLogP3.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine (CID 61284102) is 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is c1cc(CNC2CCCCC2C2CCCCC2)[nH]n1.
What is the InChIKey of 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is VJQFOEKJEIRJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-6-13(7-3-1)15-8-4-5-9-16(15)17-12-14-10-11-18-19-14/h10-11,13,15-17H,1-9,12H2,(H,18,19).
What are the key properties of 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine?
2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61284102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).