3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide

C13H27N3O — CID 54994326

IUPAC3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCO)C1CCCCC1
InChIInChI=1S/C13H27N3O/c1-2-11(10-13(14)15)16(8-9-17)12-6-4-3-5-7-12/h11-12,17H,2-10H2,1H3,(H3,14,15)
InChIKeyNMNSAACLGNUUBV-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.72
Rot. Bonds7

About 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide

3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide (PubChem CID 54994326) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
PubChem CID54994326
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(CCO)C1CCCCC1
InChIInChI=1S/C13H27N3O/c1-2-11(10-13(14)15)16(8-9-17)12-6-4-3-5-7-12/h11-12,17H,2-10H2,1H3,(H3,14,15)
InChIKeyNMNSAACLGNUUBV-UHFFFAOYSA-N
XLogP1.72
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanimidamide
CID 62779762
2-[cyclobutyl(2-hydroxyethyl)amino]propanimidamide
CID 102863096
3-[cyclopropyl(thiophen-3-ylmethyl)amino]pentanimidamide
CID 61434663
3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611267
3-[cyclobutyl(2-hydroxyethyl)amino]butanethioamide
CID 102862712
1-[cyclohexyl(2-hydroxyethyl)amino]ethanol
CID 174488564
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016
2-[(4-ethylcyclohexyl)-pentan-3-ylamino]ethanol
CID 64775079
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide
CID 102863095
2-[[2-(aminomethyl)cyclohexyl]-pentan-3-ylamino]ethanol
CID 54993620
3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 43368010

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide?
The IUPAC name of 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide (CID 54994326) is 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide.
What is the SMILES notation for 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide?
The canonical SMILES for 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(CCO)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide?
The InChIKey is NMNSAACLGNUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-11(10-13(14)15)16(8-9-17)12-6-4-3-5-7-12/h11-12,17H,2-10H2,1H3,(H3,14,15).
What are the key properties of 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide?
3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide is sourced from PubChem (CID 54994326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).