5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide

C16H26N2O — CID 71040373

IUPAC5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
SMILESCC1=C2C(C)CCC2CC(NC(=O)CCCCN)=C1
InChIInChI=1S/C16H26N2O/c1-11-6-7-13-10-14(9-12(2)16(11)13)18-15(19)5-3-4-8-17/h9,11,13H,3-8,10,17H2,1-2H3,(H,18,19)
InChIKeyGMUHTNPAUURMSG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds5

About 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide

5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide (PubChem CID 71040373) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide.

Molecular Properties

Compound Name5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
PubChem CID71040373
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
SMILESCC1=C2C(C)CCC2CC(NC(=O)CCCCN)=C1
InChIInChI=1S/C16H26N2O/c1-11-6-7-13-10-14(9-12(2)16(11)13)18-15(19)5-3-4-8-17/h9,11,13H,3-8,10,17H2,1-2H3,(H,18,19)
InChIKeyGMUHTNPAUURMSG-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.88
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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Related Compounds

5-amino-N-(2-fluoro-2,3,7,7a-tetrahydro-1H-inden-5-yl)pentanamide
CID 70974424
N-[(3aS)-2-amino-2,3,3a,4-tetrahydro-1H-inden-5-yl]-3-fluoro-6-hex-1-en-3-ylcyclohexa-2,4-diene-1-carboxamide
CID 141982178
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-5-(methylamino)pentanamide
CID 70892497
4-amino-N-[4-[(2R)-butan-2-yl]cyclohexa-1,3-dien-1-yl]butanamide
CID 70892645
N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide
CID 70974378
5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide
CID 70974448
5-(tert-butylsulfinylamino)-N-(1,2-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide
CID 71040281
5-(tert-butylsulfinylamino)-N-[(4S)-4,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040475
5-amino-N-[4-(2,3-dimethylcyclohexyl)cyclohexa-1,3-dien-1-yl]pentanamide
CID 71040537
5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide
CID 89073991
4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide
CID 89214827
N-[(3E,5E)-6,7-dimethylnona-1,3,5-trien-3-yl]-4-(methylamino)cyclohex-3-ene-1-carboxamide
CID 89214882

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide?
The IUPAC name of 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide (CID 71040373) is 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide.
What is the SMILES notation for 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide?
The canonical SMILES for 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide is CC1=C2C(C)CCC2CC(NC(=O)CCCCN)=C1.
What is the InChIKey of 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide?
The InChIKey is GMUHTNPAUURMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-6-7-13-10-14(9-12(2)16(11)13)18-15(19)5-3-4-8-17/h9,11,13H,3-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide?
5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide has a molecular weight of 262.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,7-dimethyl-2,3,3a,4-tetrahydro-1H-inden-5-yl)pentanamide is sourced from PubChem (CID 71040373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).