N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine

C9H20N2O — CID 63558740

IUPACN'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)C1CCOC1
InChIInChI=1S/C9H20N2O/c1-8(2)11(5-4-10)9-3-6-12-7-9/h8-9H,3-7,10H2,1-2H3
InChIKeyAKIPGGSQAAUYFM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds4

About N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine

N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 63558740) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID63558740
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)C1CCOC1
InChIInChI=1S/C9H20N2O/c1-8(2)11(5-4-10)9-3-6-12-7-9/h8-9H,3-7,10H2,1-2H3
InChIKeyAKIPGGSQAAUYFM-UHFFFAOYSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(oxolan-3-yl)-N'-propan-2-ylethane-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'-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 10419294
N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
CID 77038029
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine
CID 82740013
N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
CID 63558781
N-(piperidin-2-ylmethyl)-N-propan-2-yloxolan-3-amine
CID 106622294
N'-cyclopropyl-N'-propan-2-ylpropane-1,3-diamine
CID 43137500
N'-hydroxy-3-[oxan-4-yl(propan-2-yl)amino]propanimidamide
CID 77013639
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
N-(2-aminoethyl)-N-propan-2-yloxolane-3-carboxamide
CID 61350101
6-amino-N,4-dimethyl-N-(oxolan-3-yl)hexanamide
CID 82738778
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220

Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine (CID 63558740) is N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)C1CCOC1.
What is the InChIKey of N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is AKIPGGSQAAUYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)11(5-4-10)9-3-6-12-7-9/h8-9H,3-7,10H2,1-2H3.
What are the key properties of N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63558740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).