N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine

C18H32N2O2 — CID 54569360

IUPACN-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine
SMILESC1=C(NCCOCCOCCNC2=CCCCC2)CCCC1
InChIInChI=1S/C18H32N2O2/c1-3-7-17(8-4-1)19-11-13-21-15-16-22-14-12-20-18-9-5-2-6-10-18/h7,9,19-20H,1-6,8,10-16H2
InChIKeyZWDMVQJVBAAMCZ-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.11
Rot. Bonds11

About N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine

N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine (PubChem CID 54569360) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine
PubChem CID54569360
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine
SMILESC1=C(NCCOCCOCCNC2=CCCCC2)CCCC1
InChIInChI=1S/C18H32N2O2/c1-3-7-17(8-4-1)19-11-13-21-15-16-22-14-12-20-18-9-5-2-6-10-18/h7,9,19-20H,1-6,8,10-16H2
InChIKeyZWDMVQJVBAAMCZ-UHFFFAOYSA-N
XLogP3.11
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-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 N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine?
The IUPAC name of N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine (CID 54569360) is N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine.
What is the SMILES notation for N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine?
The canonical SMILES for N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine is C1=C(NCCOCCOCCNC2=CCCCC2)CCCC1.
What is the InChIKey of N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine?
The InChIKey is ZWDMVQJVBAAMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-3-7-17(8-4-1)19-11-13-21-15-16-22-14-12-20-18-9-5-2-6-10-18/h7,9,19-20H,1-6,8,10-16H2.
What are the key properties of N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine?
N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine has a molecular weight of 308.47 g/mol, XLogP of 3.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(cyclohexen-1-ylamino)ethoxy]ethoxy]ethyl]cyclohexen-1-amine is sourced from PubChem (CID 54569360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).