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

C14H30N2O — CID 79667389

IUPAC2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CCCOC1)CC(C)(C)CN
InChIInChI=1S/C14H30N2O/c1-4-7-16(12-14(2,3)11-15)9-13-6-5-8-17-10-13/h13H,4-12,15H2,1-3H3
InChIKeyPYOIAQZRPFCLHZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds7

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

2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine (PubChem CID 79667389) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
PubChem CID79667389
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CCCOC1)CC(C)(C)CN
InChIInChI=1S/C14H30N2O/c1-4-7-16(12-14(2,3)11-15)9-13-6-5-8-17-10-13/h13H,4-12,15H2,1-3H3
InChIKeyPYOIAQZRPFCLHZ-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N'-(oxan-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'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667897
N-(oxan-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 163259274
2-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-2-propylpentanamide
CID 63711195
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511
N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63712871
2-N,3,3-trimethyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725899
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
CID 114495650
N-(oxan-3-ylmethyl)-N-propylazetidin-3-amine
CID 66182229
N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 62258479
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
CID 61443395

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine (CID 79667389) is 2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine is CCCN(CC1CCCOC1)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is PYOIAQZRPFCLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-16(12-14(2,3)11-15)9-13-6-5-8-17-10-13/h13H,4-12,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 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'-(oxan-3-ylmethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79667389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).