N-(cyclopentylideneamino)-3-methylbutanamide

C10H18N2O — CID 5165993

IUPACN-(cyclopentylideneamino)-3-methylbutanamide
SMILESCC(C)CC(=O)NN=C1CCCC1
InChIInChI=1S/C10H18N2O/c1-8(2)7-10(13)12-11-9-5-3-4-6-9/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyBQJADEKXQVDQSQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.08
Rot. Bonds3

About N-(cyclopentylideneamino)-3-methylbutanamide

N-(cyclopentylideneamino)-3-methylbutanamide (PubChem CID 5165993) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-3-methylbutanamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-3-methylbutanamide
PubChem CID5165993
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(cyclopentylideneamino)-3-methylbutanamide
SMILESCC(C)CC(=O)NN=C1CCCC1
InChIInChI=1S/C10H18N2O/c1-8(2)7-10(13)12-11-9-5-3-4-6-9/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyBQJADEKXQVDQSQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.08
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-(cyclopentylideneamino)-3-methylbutanamide?
The IUPAC name of N-(cyclopentylideneamino)-3-methylbutanamide (CID 5165993) is N-(cyclopentylideneamino)-3-methylbutanamide.
What is the SMILES notation for N-(cyclopentylideneamino)-3-methylbutanamide?
The canonical SMILES for N-(cyclopentylideneamino)-3-methylbutanamide is CC(C)CC(=O)NN=C1CCCC1.
What is the InChIKey of N-(cyclopentylideneamino)-3-methylbutanamide?
The InChIKey is BQJADEKXQVDQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)7-10(13)12-11-9-5-3-4-6-9/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(cyclopentylideneamino)-3-methylbutanamide?
N-(cyclopentylideneamino)-3-methylbutanamide has a molecular weight of 182.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-3-methylbutanamide is sourced from PubChem (CID 5165993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).