N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

C12H26N2O — CID 114825454

IUPACN-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCC1COC(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)7-13-4-5-14-8-12-6-11(3)15-9-12/h10-14H,4-9H2,1-3H3
InChIKeyFOYQYSOPRLWODE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.25
Rot. Bonds7

About N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 114825454) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID114825454
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCC1COC(C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)7-13-4-5-14-8-12-6-11(3)15-9-12/h10-14H,4-9H2,1-3H3
InChIKeyFOYQYSOPRLWODE-UHFFFAOYSA-N
XLogP1.25
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)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-iodo-1-(5-methyloxolan-3-yl)methanamine
CID 89101190
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
N-[(5-methyloxolan-3-yl)methyl]cyclopentanamine
CID 114825433
2-methyl-N-[3-(oxiran-2-yl)propyl]propan-1-amine
CID 142537270
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
4-(2,5-dimethylmorpholin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 62432075
N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
CID 64999747
(Z)-4-methyl-5-(5-methyloxolan-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 103132390
2-methyl-N-[(2-methylcyclopropyl)methyl]propan-1-amine
CID 60985078
N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine
CID 4712138
N-[2-(2,5-dimethylmorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 62432439
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62439790

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 114825454) is N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCNCC1COC(C)C1.
What is the InChIKey of N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is FOYQYSOPRLWODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)7-13-4-5-14-8-12-6-11(3)15-9-12/h10-14H,4-9H2,1-3H3.
What are the key properties of N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114825454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).