N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C15H32N2O — CID 62575237

IUPACN',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNCC1CCCO1
InChIInChI=1S/C15H32N2O/c1-3-5-10-17(11-6-4-2)12-9-16-14-15-8-7-13-18-15/h15-16H,3-14H2,1-2H3
InChIKeyIWRVTPUCHXFCCQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds11

About N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62575237) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62575237
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNCC1CCCO1
InChIInChI=1S/C15H32N2O/c1-3-5-10-17(11-6-4-2)12-9-16-14-15-8-7-13-18-15/h15-16H,3-14H2,1-2H3
InChIKeyIWRVTPUCHXFCCQ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dibutyl-N-(oxolan-2-ylmethyl)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-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
CID 63503881
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
3-ethoxy-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43180080
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
N'-ethyl-N'-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62558243
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43403677
2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60689519

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 62575237) is N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCCCN(CCCC)CCNCC1CCCO1.
What is the InChIKey of N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is IWRVTPUCHXFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-5-10-17(11-6-4-2)12-9-16-14-15-8-7-13-18-15/h15-16H,3-14H2,1-2H3.
What are the key properties of N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62575237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).