5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide

C19H32N2O — CID 71040537

IUPAC5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide
SMILESCC1CCCC(C2=CC=C(NC(=O)CCCCN)CC2)C1C
InChIInChI=1S/C19H32N2O/c1-14-6-5-7-18(15(14)2)16-9-11-17(12-10-16)21-19(22)8-3-4-13-20/h9,11,14-15,18H,3-8,10,12-13,20H2,1-2H3,(H,21,22)
InChIKeyGWSMISSYQLGZQQ-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.91
Rot. Bonds6

About 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide

5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide (PubChem CID 71040537) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide
PubChem CID71040537
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide
SMILESCC1CCCC(C2=CC=C(NC(=O)CCCCN)CC2)C1C
InChIInChI=1S/C19H32N2O/c1-14-6-5-7-18(15(14)2)16-9-11-17(12-10-16)21-19(22)8-3-4-13-20/h9,11,14-15,18H,3-8,10,12-13,20H2,1-2H3,(H,21,22)
InChIKeyGWSMISSYQLGZQQ-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide?
The IUPAC name of 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide (CID 71040537) is 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide?
The canonical SMILES for 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide is CC1CCCC(C2=CC=C(NC(=O)CCCCN)CC2)C1C.
What is the InChIKey of 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide?
The InChIKey is GWSMISSYQLGZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-14-6-5-7-18(15(14)2)16-9-11-17(12-10-16)21-19(22)8-3-4-13-20/h9,11,14-15,18H,3-8,10,12-13,20H2,1-2H3,(H,21,22).
What are the key properties of 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide?
5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide has a molecular weight of 304.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide is sourced from PubChem (CID 71040537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).