4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine

C15H32N2O — CID 55225870

IUPAC4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
SMILESCCCNCCCC(C)N(C)CC1CCCOC1
InChIInChI=1S/C15H32N2O/c1-4-9-16-10-5-7-14(2)17(3)12-15-8-6-11-18-13-15/h14-16H,4-13H2,1-3H3
InChIKeyNQKUEPCLZMPSCA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine

4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine (PubChem CID 55225870) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
PubChem CID55225870
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine
SMILESCCCNCCCC(C)N(C)CC1CCCOC1
InChIInChI=1S/C15H32N2O/c1-4-9-16-10-5-7-14(2)17(3)12-15-8-6-11-18-13-15/h14-16H,4-13H2,1-3H3
InChIKeyNQKUEPCLZMPSCA-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

4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201
3-N-methyl-1-N-(2-methylpropyl)-3-N-(oxan-3-ylmethyl)butane-1,3-diamine
CID 63708130
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylbutane-1,4-diamine
CID 63705816
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
2-N-methyl-2-N-(oxan-3-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 63705999
3-[methyl(oxan-3-ylmethyl)amino]butanehydrazide
CID 63706863
2-methyl-4-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentanoic acid
CID 64705224
2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
CID 63727178
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942
methyl 3-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713446

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine (CID 55225870) is 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine is CCCNCCCC(C)N(C)CC1CCCOC1.
What is the InChIKey of 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine?
The InChIKey is NQKUEPCLZMPSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-9-16-10-5-7-14(2)17(3)12-15-8-6-11-18-13-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine?
4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-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 4-N-methyl-4-N-(oxan-3-ylmethyl)-1-N-propylpentane-1,4-diamine is sourced from PubChem (CID 55225870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).