5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide

C16H28N2O — CID 70974448

IUPAC5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide
SMILESCCCCC1C=CC(NC(=O)CCCCN)=C[C@@H]1C
InChIInChI=1S/C16H28N2O/c1-3-4-7-14-9-10-15(12-13(14)2)18-16(19)8-5-6-11-17/h9-10,12-14H,3-8,11,17H2,1-2H3,(H,18,19)/t13-,14?/m0/s1
InChIKeyONNDOYIBTYWRGJ-LSLKUGRBSA-N
MW264.41 g/mol
LogP3.13
Rot. Bonds8

About 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide

5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide (PubChem CID 70974448) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide
PubChem CID70974448
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide
SMILESCCCCC1C=CC(NC(=O)CCCCN)=C[C@@H]1C
InChIInChI=1S/C16H28N2O/c1-3-4-7-14-9-10-15(12-13(14)2)18-16(19)8-5-6-11-17/h9-10,12-14H,3-8,11,17H2,1-2H3,(H,18,19)/t13-,14?/m0/s1
InChIKeyONNDOYIBTYWRGJ-LSLKUGRBSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.13
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-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide?
The IUPAC name of 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide (CID 70974448) is 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide?
The canonical SMILES for 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide is CCCCC1C=CC(NC(=O)CCCCN)=C[C@@H]1C.
What is the InChIKey of 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide?
The InChIKey is ONNDOYIBTYWRGJ-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-4-7-14-9-10-15(12-13(14)2)18-16(19)8-5-6-11-17/h9-10,12-14H,3-8,11,17H2,1-2H3,(H,18,19)/t13-,14?/m0/s1.
What are the key properties of 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide?
5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide has a molecular weight of 264.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3R)-4-butyl-3-methylcyclohexa-1,5-dien-1-yl]pentanamide is sourced from PubChem (CID 70974448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).