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

C15H32N2O — CID 62432030

IUPACN'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)C1CCOCC1
InChIInChI=1S/C15H32N2O/c1-14(2)13-16-9-5-4-6-10-17(3)15-7-11-18-12-8-15/h14-16H,4-13H2,1-3H3
InChIKeyHFTKTQSVZVXTBM-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

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

N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine (PubChem CID 62432030) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
PubChem CID62432030
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)C1CCOCC1
InChIInChI=1S/C15H32N2O/c1-14(2)13-16-9-5-4-6-10-17(3)15-7-11-18-12-8-15/h14-16H,4-13H2,1-3H3
InChIKeyHFTKTQSVZVXTBM-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
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'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 63706666
N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine
CID 102740718
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-4-yl)propane-1,3-diamine
CID 62432918
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'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N'-cyclopropyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62428833
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine (CID 62432030) is N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine is CC(C)CNCCCCCN(C)C1CCOCC1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine?
The InChIKey is HFTKTQSVZVXTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2)13-16-9-5-4-6-10-17(3)15-7-11-18-12-8-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 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-yl)pentane-1,5-diamine is sourced from PubChem (CID 62432030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).