N-(cycloheptylideneamino)pentanamide

C12H22N2O — CID 3533607

IUPACN-(cycloheptylideneamino)pentanamide
SMILESCCCCC(=O)NN=C1CCCCCC1
InChIInChI=1S/C12H22N2O/c1-2-3-10-12(15)14-13-11-8-6-4-5-7-9-11/h2-10H2,1H3,(H,14,15)
InChIKeyCOVNCOOHQYDODA-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.00
Rot. Bonds4

About N-(cycloheptylideneamino)pentanamide

N-(cycloheptylideneamino)pentanamide (PubChem CID 3533607) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(cycloheptylideneamino)pentanamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)pentanamide
PubChem CID3533607
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(cycloheptylideneamino)pentanamide
SMILESCCCCC(=O)NN=C1CCCCCC1
InChIInChI=1S/C12H22N2O/c1-2-3-10-12(15)14-13-11-8-6-4-5-7-9-11/h2-10H2,1H3,(H,14,15)
InChIKeyCOVNCOOHQYDODA-UHFFFAOYSA-N
XLogP3.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)pentanamide?
The IUPAC name of N-(cycloheptylideneamino)pentanamide (CID 3533607) is N-(cycloheptylideneamino)pentanamide.
What is the SMILES notation for N-(cycloheptylideneamino)pentanamide?
The canonical SMILES for N-(cycloheptylideneamino)pentanamide is CCCCC(=O)NN=C1CCCCCC1.
What is the InChIKey of N-(cycloheptylideneamino)pentanamide?
The InChIKey is COVNCOOHQYDODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-10-12(15)14-13-11-8-6-4-5-7-9-11/h2-10H2,1H3,(H,14,15).
What are the key properties of N-(cycloheptylideneamino)pentanamide?
N-(cycloheptylideneamino)pentanamide has a molecular weight of 210.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)pentanamide is sourced from PubChem (CID 3533607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).