N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine

C17H36N2O — CID 63713052

IUPACN,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)CC1CCOCC1
InChIInChI=1S/C17H36N2O/c1-5-9-17(3,14-18-10-6-2)15-19(4)13-16-7-11-20-12-8-16/h16,18H,5-15H2,1-4H3
InChIKeyWYDLWAFNWMUPNR-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.15
Rot. Bonds10

About N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine

N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine (PubChem CID 63713052) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
PubChem CID63713052
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
SMILESCCCNCC(C)(CCC)CN(C)CC1CCOCC1
InChIInChI=1S/C17H36N2O/c1-5-9-17(3,14-18-10-6-2)15-19(4)13-16-7-11-20-12-8-16/h16,18H,5-15H2,1-4H3
InChIKeyWYDLWAFNWMUPNR-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63495625
N-(1-cyclopropylethyl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 62256297
N,2,2-triethyl-N'-methyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713223
N-tert-butyl-N',2,2-trimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713235
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
2-(bromomethyl)-2-ethyl-N-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 65003847
2-(cyclopentylmethyl)-2-methyl-N-propylpentan-1-amine
CID 63508725
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-N',2-dipropylpropane-1,3-diamine
CID 63494582
N,2-dimethyl-2-(oxan-4-ylmethyl)pentan-1-amine
CID 62725215
N,2-dimethyl-N-[(4-methylphenyl)methyl]-N',2-dipropylpropane-1,3-diamine
CID 63482171

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine (CID 63713052) is N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine is CCCNCC(C)(CCC)CN(C)CC1CCOCC1.
What is the InChIKey of N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine?
The InChIKey is WYDLWAFNWMUPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-9-17(3,14-18-10-6-2)15-19(4)13-16-7-11-20-12-8-16/h16,18H,5-15H2,1-4H3.
What are the key properties of N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine?
N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.15, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine is sourced from PubChem (CID 63713052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).