5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide

C12H22N2O — CID 70974481

IUPAC5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide
SMILESCC1=CCC(NC(=O)CCCCN)CC1
InChIInChI=1S/C12H22N2O/c1-10-5-7-11(8-6-10)14-12(15)4-2-3-9-13/h5,11H,2-4,6-9,13H2,1H3,(H,14,15)
InChIKeyZNWMTRCANIJAFO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds5

About 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide

5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide (PubChem CID 70974481) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide
PubChem CID70974481
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide
SMILESCC1=CCC(NC(=O)CCCCN)CC1
InChIInChI=1S/C12H22N2O/c1-10-5-7-11(8-6-10)14-12(15)4-2-3-9-13/h5,11H,2-4,6-9,13H2,1H3,(H,14,15)
InChIKeyZNWMTRCANIJAFO-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
5-amino-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 113359655
4-(7-aminoheptanoylamino)cyclohexane-1-carboxylic acid
CID 61160664
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663
6-amino-N-(4-methylcycloheptyl)hexanamide
CID 114100037
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
CID 43698547
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
7-amino-N-(1-prop-2-enylpiperidin-4-yl)heptanamide
CID 119879080
7-amino-N-(4-butylcyclohexyl)heptanamide;hydrochloride
CID 119750320

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide?
The IUPAC name of 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide (CID 70974481) is 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide.
What is the SMILES notation for 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide?
The canonical SMILES for 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide is CC1=CCC(NC(=O)CCCCN)CC1.
What is the InChIKey of 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide?
The InChIKey is ZNWMTRCANIJAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-5-7-11(8-6-10)14-12(15)4-2-3-9-13/h5,11H,2-4,6-9,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide?
5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide has a molecular weight of 210.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methylcyclohex-3-en-1-yl)pentanamide is sourced from PubChem (CID 70974481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).