N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C13H28N2O — CID 43608333

IUPACN-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCOCC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(12(3)4)8-7-14-13-5-9-16-10-6-13/h11-14H,5-10H2,1-4H3
InChIKeyYQSUEAIDHRTUPV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43608333) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43608333
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCOCC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(12(3)4)8-7-14-13-5-9-16-10-6-13/h11-14H,5-10H2,1-4H3
InChIKeyYQSUEAIDHRTUPV-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(oxan-4-yl)-N',N'-di(propan-2-yl)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-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901356
N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43511440
N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 114075327
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 165455015
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine
CID 158109886
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29033402
N-propyloxan-4-amine
CID 18348908
N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 63098109
N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80692638

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43608333) is N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNC1CCOCC1)C(C)C.
What is the InChIKey of N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is YQSUEAIDHRTUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(12(3)4)8-7-14-13-5-9-16-10-6-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43608333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).