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

C14H28N2O — CID 63706145

IUPACN-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)CC1CCCOC1
InChIInChI=1S/C14H28N2O/c1-12(8-15-14-5-6-14)9-16(2)10-13-4-3-7-17-11-13/h12-15H,3-11H2,1-2H3
InChIKeyXEEYKYVSMWHGBY-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds7

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

N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine (PubChem CID 63706145) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
PubChem CID63706145
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)CC1CCCOC1
InChIInChI=1S/C14H28N2O/c1-12(8-15-14-5-6-14)9-16(2)10-13-4-3-7-17-11-13/h12-15H,3-11H2,1-2H3
InChIKeyXEEYKYVSMWHGBY-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-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

1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
2-methoxy-N'-methyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 106114843
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)propanoic acid
CID 63711612
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 107505772
1-N-methyl-1-N-(oxolan-3-ylmethyl)propane-1,2-diamine
CID 63760483
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine (CID 63706145) is N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine is CC(CNC1CC1)CN(C)CC1CCCOC1.
What is the InChIKey of N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine?
The InChIKey is XEEYKYVSMWHGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(8-15-14-5-6-14)9-16(2)10-13-4-3-7-17-11-13/h12-15H,3-11H2,1-2H3.
What are the key properties of N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine?
N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2-dimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63706145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).