N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine

C13H28N2O — CID 62560454

IUPACN'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
SMILESCCCCCNCCN(C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-3-4-5-8-14-9-10-15(2)13-6-11-16-12-7-13/h13-14H,3-12H2,1-2H3
InChIKeyULJZADRIEXUUMZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine

N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine (PubChem CID 62560454) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
PubChem CID62560454
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
SMILESCCCCCNCCN(C)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-3-4-5-8-14-9-10-15(2)13-6-11-16-12-7-13/h13-14H,3-12H2,1-2H3
InChIKeyULJZADRIEXUUMZ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
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'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
CID 62432030
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
N-butyl-N-methyloxolan-3-amine
CID 154189060
N-[2-(oxan-4-ylsulfanyl)ethyl]pentan-1-amine
CID 62989640
N'-cyclopropyl-N'-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 62977611
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine (CID 62560454) is N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine is CCCCCNCCN(C)C1CCOCC1.
What is the InChIKey of N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine?
The InChIKey is ULJZADRIEXUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-4-5-8-14-9-10-15(2)13-6-11-16-12-7-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine?
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine is sourced from PubChem (CID 62560454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).