4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine

C14H26N4 — CID 56740433

IUPAC4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine
SMILESCCN(CCn1cccn1)CC1CCC(N)CC1
InChIInChI=1S/C14H26N4/c1-2-17(10-11-18-9-3-8-16-18)12-13-4-6-14(15)7-5-13/h3,8-9,13-14H,2,4-7,10-12,15H2,1H3
InChIKeyWAWJUZCAOHSFLQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.72
Rot. Bonds6

About 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine

4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 56740433) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine
PubChem CID56740433
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine
SMILESCCN(CCn1cccn1)CC1CCC(N)CC1
InChIInChI=1S/C14H26N4/c1-2-17(10-11-18-9-3-8-16-18)12-13-4-6-14(15)7-5-13/h3,8-9,13-14H,2,4-7,10-12,15H2,1H3
InChIKeyWAWJUZCAOHSFLQ-UHFFFAOYSA-N
XLogP1.72
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine (CID 56740433) is 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine is CCN(CCn1cccn1)CC1CCC(N)CC1.
What is the InChIKey of 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is WAWJUZCAOHSFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-2-17(10-11-18-9-3-8-16-18)12-13-4-6-14(15)7-5-13/h3,8-9,13-14H,2,4-7,10-12,15H2,1H3.
What are the key properties of 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine?
4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 56740433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).