2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine

C13H28N2O — CID 79667897

IUPAC2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CCOC1)CC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-4-6-15(11-13(2,3)10-14)8-12-5-7-16-9-12/h12H,4-11,14H2,1-3H3
InChIKeyYRUYABPEUSYWJJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds7

About 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine (PubChem CID 79667897) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
PubChem CID79667897
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CCOC1)CC(C)(C)CN
InChIInChI=1S/C13H28N2O/c1-4-6-15(11-13(2,3)10-14)8-12-5-7-16-9-12/h12H,4-11,14H2,1-3H3
InChIKeyYRUYABPEUSYWJJ-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-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

2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667389
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511
N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62258479
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
CID 106707901
2,2-dimethyl-N'-[(4-propan-2-ylmorpholin-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79662228
N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 58297160
N-(1-adamantylmethyl)-2,2-dimethyl-N-propylpropane-1,3-diamine
CID 79665309
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
4-(aminomethyl)-N-(oxolan-3-ylmethyl)-N-propylaniline
CID 61311480
3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile
CID 96509650
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
CID 61443395
3-[(dipropylamino)methyl]oxan-4-ol
CID 103061158

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine (CID 79667897) is 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine is CCCN(CC1CCOC1)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is YRUYABPEUSYWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-6-15(11-13(2,3)10-14)8-12-5-7-16-9-12/h12H,4-11,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79667897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).