N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine

C13H28N2O — CID 82754643

IUPACN'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC(C)CCCNCCN(C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-12(2)5-4-7-14-8-9-15(3)13-6-10-16-11-13/h12-14H,4-11H2,1-3H3
InChIKeyLRHRITWESZQOPN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine

N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82754643) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82754643
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC(C)CCCNCCN(C)C1CCOC1
InChIInChI=1S/C13H28N2O/c1-12(2)5-4-7-14-8-9-15(3)13-6-10-16-11-13/h12-14H,4-11H2,1-3H3
InChIKeyLRHRITWESZQOPN-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82740088
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82754643) is N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine is CC(C)CCCNCCN(C)C1CCOC1.
What is the InChIKey of N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is LRHRITWESZQOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(2)5-4-7-14-8-9-15(3)13-6-10-16-11-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine?
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82754643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).