N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide

C12H22N2O2 — CID 104593593

IUPACN-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(O)CNCCNC(=O)C1CC=CCC1
InChIInChI=1S/C12H22N2O2/c1-10(15)9-13-7-8-14-12(16)11-5-3-2-4-6-11/h2-3,10-11,13,15H,4-9H2,1H3,(H,14,16)
InChIKeyWXRQJTLYTQXWDK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.43
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 104593593) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID104593593
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide
SMILESCC(O)CNCCNC(=O)C1CC=CCC1
InChIInChI=1S/C12H22N2O2/c1-10(15)9-13-7-8-14-12(16)11-5-3-2-4-6-11/h2-3,10-11,13,15H,4-9H2,1H3,(H,14,16)
InChIKeyWXRQJTLYTQXWDK-UHFFFAOYSA-N
XLogP0.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide (CID 104593593) is N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide is CC(O)CNCCNC(=O)C1CC=CCC1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is WXRQJTLYTQXWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(15)9-13-7-8-14-12(16)11-5-3-2-4-6-11/h2-3,10-11,13,15H,4-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 104593593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).