N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine

C14H28N2 — CID 23394688

IUPACN-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine
SMILESCC1CC1NCCNC1CCCCCCC1
InChIInChI=1S/C14H28N2/c1-12-11-14(12)16-10-9-15-13-7-5-3-2-4-6-8-13/h12-16H,2-11H2,1H3
InChIKeyVRXKOQDKMFKIIM-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.69
Rot. Bonds5

About N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine

N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine (PubChem CID 23394688) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine
PubChem CID23394688
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine
SMILESCC1CC1NCCNC1CCCCCCC1
InChIInChI=1S/C14H28N2/c1-12-11-14(12)16-10-9-15-13-7-5-3-2-4-6-8-13/h12-16H,2-11H2,1H3
InChIKeyVRXKOQDKMFKIIM-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N-cyclooctyl-N'-(3-ethyl-2-methylcyclohexyl)ethane-1,2-diamine
CID 67990591
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N'-cycloundecylethane-1,2-diamine
CID 166845791
N'-cyclopentyl-N-ethylethane-1,2-diamine
CID 61150069
N-[2-(2-methylcyclohexyl)oxyethyl]cycloheptanamine
CID 60960704
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(2-chloroethyl)cyclooctanamine
CID 18316363
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
N-(2-methoxyethyl)cycloheptanamine
CID 22484521

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine?
The IUPAC name of N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine (CID 23394688) is N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine is CC1CC1NCCNC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine?
The InChIKey is VRXKOQDKMFKIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-11-14(12)16-10-9-15-13-7-5-3-2-4-6-8-13/h12-16H,2-11H2,1H3.
What are the key properties of N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine?
N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-N'-(2-methylcyclopropyl)ethane-1,2-diamine is sourced from PubChem (CID 23394688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).