2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine

C15H32N2O — CID 107136583

IUPAC2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)C1CCCOC1
InChIInChI=1S/C15H32N2O/c1-5-15(6-2,17(7-3)8-4)14(16)13-10-9-11-18-12-13/h13-14H,5-12,16H2,1-4H3
InChIKeyASPILYSQCOFSFV-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds7

About 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine

2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine (PubChem CID 107136583) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine
PubChem CID107136583
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(N)C1CCCOC1
InChIInChI=1S/C15H32N2O/c1-5-15(6-2,17(7-3)8-4)14(16)13-10-9-11-18-12-13/h13-14H,5-12,16H2,1-4H3
InChIKeyASPILYSQCOFSFV-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-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

2-N,2-N,2-trimethyl-1-(oxan-3-yl)propane-1,2-diamine
CID 107136542
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
N-methyl-N-(2-methylbutan-2-yl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63983102
bis(oxan-3-yl)methanamine
CID 107136437
2-amino-1-(oxan-3-yl)butan-1-ol
CID 63737699
3-pentan-3-yloxane
CID 15620798
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
N,N-diethyl-1-[hydrazinyl(oxan-3-yl)methyl]cyclopentan-1-amine
CID 107139613
1-cyclopropyl-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069292
CID 59269410
CID 59269410

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine (CID 107136583) is 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine is CCN(CC)C(CC)(CC)C(N)C1CCCOC1.
What is the InChIKey of 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine?
The InChIKey is ASPILYSQCOFSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-15(6-2,17(7-3)8-4)14(16)13-10-9-11-18-12-13/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine?
2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-triethyl-1-(oxan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 107136583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).