N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine

C10H22N2O — CID 103556559

IUPACN'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCC1(OC)CCC1
InChIInChI=1S/C10H22N2O/c1-11-8-9-12-7-6-10(13-2)4-3-5-10/h11-12H,3-9H2,1-2H3
InChIKeyCRNWBYCGEKSNNH-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.75
Rot. Bonds7

About N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine

N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 103556559) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine
PubChem CID103556559
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCC1(OC)CCC1
InChIInChI=1S/C10H22N2O/c1-11-8-9-12-7-6-10(13-2)4-3-5-10/h11-12H,3-9H2,1-2H3
InChIKeyCRNWBYCGEKSNNH-UHFFFAOYSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine (CID 103556559) is N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine is CNCCNCCC1(OC)CCC1.
What is the InChIKey of N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is CRNWBYCGEKSNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-11-8-9-12-7-6-10(13-2)4-3-5-10/h11-12H,3-9H2,1-2H3.
What are the key properties of N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine?
N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methoxycyclobutyl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 103556559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).