N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide

C14H26N2O — CID 104982241

IUPACN-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1CC[C@H]2CNC[C@H]2C1
InChIInChI=1S/C14H26N2O/c1-3-10(2)6-14(17)16-13-5-4-11-8-15-9-12(11)7-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,12+,13?/m0/s1
InChIKeyYNHSCCMTYUUZNL-CMOBGSAGSA-N
MW238.37 g/mol
LogP1.93
Rot. Bonds4

About N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide

N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide (PubChem CID 104982241) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide
PubChem CID104982241
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1CC[C@H]2CNC[C@H]2C1
InChIInChI=1S/C14H26N2O/c1-3-10(2)6-14(17)16-13-5-4-11-8-15-9-12(11)7-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,12+,13?/m0/s1
InChIKeyYNHSCCMTYUUZNL-CMOBGSAGSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide with MolForge

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Related Compounds

3-methyl-N-(3-methylcyclopentyl)pentanamide
CID 114875354
3-methyl-N-piperidin-4-ylpentanamide
CID 112703814
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-(4-methylphenyl)acetamide
CID 43603845
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 43603815
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-propan-2-ylbenzamide
CID 43603743
N-cyclopropyl-3-methylhexanamide
CID 155359047
N-[2-(cyclopropylamino)ethyl]-3-methylpentanamide
CID 114875591
N-(azetidin-3-yl)-3,5,5-trimethylhexanamide
CID 66186755
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride
CID 119806159
N-(3-azabicyclo[3.1.1]heptan-6-yl)-3-methylbutanamide
CID 131198216
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-ylamino)acetamide
CID 130899387

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide?
The IUPAC name of N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide (CID 104982241) is N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide.
What is the SMILES notation for N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide?
The canonical SMILES for N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide is CCC(C)CC(=O)NC1CC[C@H]2CNC[C@H]2C1.
What is the InChIKey of N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide?
The InChIKey is YNHSCCMTYUUZNL-CMOBGSAGSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-10(2)6-14(17)16-13-5-4-11-8-15-9-12(11)7-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,12+,13?/m0/s1.
What are the key properties of N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide?
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide has a molecular weight of 238.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-methylpentanamide is sourced from PubChem (CID 104982241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).