3-(cyclopentylideneamino)oxypropan-1-amine

C8H16N2O — CID 58684619

IUPAC3-(cyclopentylideneamino)oxypropan-1-amine
SMILESNCCCON=C1CCCC1
InChIInChI=1S/C8H16N2O/c9-6-3-7-11-10-8-4-1-2-5-8/h1-7,9H2
InChIKeyRLUFEPVHUBTUCJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.28
Rot. Bonds4

About 3-(cyclopentylideneamino)oxypropan-1-amine

3-(cyclopentylideneamino)oxypropan-1-amine (PubChem CID 58684619) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-(cyclopentylideneamino)oxypropan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylideneamino)oxypropan-1-amine
PubChem CID58684619
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-(cyclopentylideneamino)oxypropan-1-amine
SMILESNCCCON=C1CCCC1
InChIInChI=1S/C8H16N2O/c9-6-3-7-11-10-8-4-1-2-5-8/h1-7,9H2
InChIKeyRLUFEPVHUBTUCJ-UHFFFAOYSA-N
XLogP1.28
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(cyclopentylideneamino)oxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylideneamino)oxypropan-1-amine?
The IUPAC name of 3-(cyclopentylideneamino)oxypropan-1-amine (CID 58684619) is 3-(cyclopentylideneamino)oxypropan-1-amine.
What is the SMILES notation for 3-(cyclopentylideneamino)oxypropan-1-amine?
The canonical SMILES for 3-(cyclopentylideneamino)oxypropan-1-amine is NCCCON=C1CCCC1.
What is the InChIKey of 3-(cyclopentylideneamino)oxypropan-1-amine?
The InChIKey is RLUFEPVHUBTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-6-3-7-11-10-8-4-1-2-5-8/h1-7,9H2.
What are the key properties of 3-(cyclopentylideneamino)oxypropan-1-amine?
3-(cyclopentylideneamino)oxypropan-1-amine has a molecular weight of 156.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylideneamino)oxypropan-1-amine is sourced from PubChem (CID 58684619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).