2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine

C14H30N2O — CID 82734351

IUPAC2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)C1CCOC1C
InChIInChI=1S/C14H30N2O/c1-11(2)6-8-14(4,10-15)16(5)13-7-9-17-12(13)3/h11-13H,6-10,15H2,1-5H3
InChIKeyKGALKKSDUUJLBG-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds6

About 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine

2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine (PubChem CID 82734351) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
PubChem CID82734351
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)C1CCOC1C
InChIInChI=1S/C14H30N2O/c1-11(2)6-8-14(4,10-15)16(5)13-7-9-17-12(13)3/h11-13H,6-10,15H2,1-5H3
InChIKeyKGALKKSDUUJLBG-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-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 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The IUPAC name of 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine (CID 82734351) is 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine is CC(C)CCC(C)(CN)N(C)C1CCOC1C.
What is the InChIKey of 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
The InChIKey is KGALKKSDUUJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11(2)6-8-14(4,10-15)16(5)13-7-9-17-12(13)3/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine?
2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,5-trimethyl-2-N-(2-methyloxolan-3-yl)hexane-1,2-diamine is sourced from PubChem (CID 82734351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).