5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide

C16H24N2O — CID 89073991

IUPAC5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide
SMILESC#C/C(=C\C=C1\CCC(C)C1)NC(=O)CCCCN
InChIInChI=1S/C16H24N2O/c1-3-15(18-16(19)6-4-5-11-17)10-9-14-8-7-13(2)12-14/h1,9-10,13H,4-8,11-12,17H2,2H3,(H,18,19)/b14-9-,15-10+
InChIKeyMFBAPXMRMITKPK-RRFADNKVSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds6

About 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide

5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide (PubChem CID 89073991) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide
PubChem CID89073991
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide
SMILESC#C/C(=C\C=C1\CCC(C)C1)NC(=O)CCCCN
InChIInChI=1S/C16H24N2O/c1-3-15(18-16(19)6-4-5-11-17)10-9-14-8-7-13(2)12-14/h1,9-10,13H,4-8,11-12,17H2,2H3,(H,18,19)/b14-9-,15-10+
InChIKeyMFBAPXMRMITKPK-RRFADNKVSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide?
The IUPAC name of 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide (CID 89073991) is 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide.
What is the SMILES notation for 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide?
The canonical SMILES for 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide is C#C/C(=C\C=C1\CCC(C)C1)NC(=O)CCCCN.
What is the InChIKey of 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide?
The InChIKey is MFBAPXMRMITKPK-RRFADNKVSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15(18-16(19)6-4-5-11-17)10-9-14-8-7-13(2)12-14/h1,9-10,13H,4-8,11-12,17H2,2H3,(H,18,19)/b14-9-,15-10+.
What are the key properties of 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide?
5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide has a molecular weight of 260.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(E,5Z)-5-(3-methylcyclopentylidene)pent-3-en-1-yn-3-yl]pentanamide is sourced from PubChem (CID 89073991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).