5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide

C18H33N3O2 — CID 70892494

IUPAC5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide
SMILESNCCCCC(=O)NC1C=CC(C(O)NC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c19-13-5-4-8-17(22)20-16-11-9-14(10-12-16)18(23)21-15-6-2-1-3-7-15/h9,11,14-16,18,21,23H,1-8,10,12-13,19H2,(H,20,22)
InChIKeyJSLNOLATBYMGIL-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.81
Rot. Bonds8

About 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide

5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide (PubChem CID 70892494) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide
PubChem CID70892494
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide
SMILESNCCCCC(=O)NC1C=CC(C(O)NC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c19-13-5-4-8-17(22)20-16-11-9-14(10-12-16)18(23)21-15-6-2-1-3-7-15/h9,11,14-16,18,21,23H,1-8,10,12-13,19H2,(H,20,22)
InChIKeyJSLNOLATBYMGIL-UHFFFAOYSA-N
XLogP1.81
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide?
The IUPAC name of 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide (CID 70892494) is 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide?
The canonical SMILES for 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide is NCCCCC(=O)NC1C=CC(C(O)NC2CCCCC2)CC1.
What is the InChIKey of 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide?
The InChIKey is JSLNOLATBYMGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c19-13-5-4-8-17(22)20-16-11-9-14(10-12-16)18(23)21-15-6-2-1-3-7-15/h9,11,14-16,18,21,23H,1-8,10,12-13,19H2,(H,20,22).
What are the key properties of 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide?
5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide has a molecular weight of 323.48 g/mol, XLogP of 1.81, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-[(cyclohexylamino)-hydroxymethyl]cyclohex-2-en-1-yl]pentanamide is sourced from PubChem (CID 70892494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).