N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine

C16H34N2O — CID 63706666

IUPACN'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-15(2)13-17-9-5-4-6-10-18(3)14-16-7-11-19-12-8-16/h15-17H,4-14H2,1-3H3
InChIKeyGVOIZDWMIHAUOF-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.76
Rot. Bonds10

About N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine

N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine (PubChem CID 63706666) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
PubChem CID63706666
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)CC1CCOCC1
InChIInChI=1S/C16H34N2O/c1-15(2)13-17-9-5-4-6-10-18(3)14-16-7-11-19-12-8-16/h15-17H,4-14H2,1-3H3
InChIKeyGVOIZDWMIHAUOF-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.76
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'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
CID 62432030
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine
CID 63865609
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 81018894
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 55227224
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N'-(cyclopentylmethyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 63657735

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine (CID 63706666) is N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine is CC(C)CNCCCCCN(C)CC1CCOCC1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The InChIKey is GVOIZDWMIHAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-15(2)13-17-9-5-4-6-10-18(3)14-16-7-11-19-12-8-16/h15-17H,4-14H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 63706666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).