N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine

C11H24N2O — CID 62559960

IUPACN'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNC(C)C1CCCO1
InChIInChI=1S/C11H24N2O/c1-9(2)12-6-7-13-10(3)11-5-4-8-14-11/h9-13H,4-8H2,1-3H3
InChIKeyLHEACYYWTCHJDD-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds6

About N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine

N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 62559960) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine
PubChem CID62559960
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNC(C)C1CCCO1
InChIInChI=1S/C11H24N2O/c1-9(2)12-6-7-13-10(3)11-5-4-8-14-11/h9-13H,4-8H2,1-3H3
InChIKeyLHEACYYWTCHJDD-UHFFFAOYSA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-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'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine (CID 62559960) is N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine is CC(C)NCCNC(C)C1CCCO1.
What is the InChIKey of N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine?
The InChIKey is LHEACYYWTCHJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)12-6-7-13-10(3)11-5-4-8-14-11/h9-13H,4-8H2,1-3H3.
What are the key properties of N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine?
N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(oxolan-2-yl)ethyl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62559960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).