5-methoxy-1-N-octylpentane-1,2-diamine

C14H32N2O — CID 113337399

IUPAC5-methoxy-1-N-octylpentane-1,2-diamine
SMILESCCCCCCCCNCC(N)CCCOC
InChIInChI=1S/C14H32N2O/c1-3-4-5-6-7-8-11-16-13-14(15)10-9-12-17-2/h14,16H,3-13,15H2,1-2H3
InChIKeyZWRKBSHQKPFJEN-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.69
Rot. Bonds13

About 5-methoxy-1-N-octylpentane-1,2-diamine

5-methoxy-1-N-octylpentane-1,2-diamine (PubChem CID 113337399) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 5-methoxy-1-N-octylpentane-1,2-diamine.

Molecular Properties

Compound Name5-methoxy-1-N-octylpentane-1,2-diamine
PubChem CID113337399
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name5-methoxy-1-N-octylpentane-1,2-diamine
SMILESCCCCCCCCNCC(N)CCCOC
InChIInChI=1S/C14H32N2O/c1-3-4-5-6-7-8-11-16-13-14(15)10-9-12-17-2/h14,16H,3-13,15H2,1-2H3
InChIKeyZWRKBSHQKPFJEN-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-N-propylbutane-1,2-diamine
CID 62477493
(2S)-1-N-propyldecane-1,2-diamine
CID 135223941
N-(4-methoxybutyl)tetradecan-1-amine
CID 145085752
2-amino-3-(dodecylamino)propan-1-ol
CID 88670185
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
1-methoxyheptan-4-amine
CID 43370439
5-N-(2-aminohexyl)pentane-1,2,5-triamine
CID 88775596
1-N-(7-methyloctyl)pentane-1,2-diamine
CID 107815807
ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
2-(2-aminohexylamino)ethanol
CID 83960481
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-N-octylpentane-1,2-diamine?
The IUPAC name of 5-methoxy-1-N-octylpentane-1,2-diamine (CID 113337399) is 5-methoxy-1-N-octylpentane-1,2-diamine.
What is the SMILES notation for 5-methoxy-1-N-octylpentane-1,2-diamine?
The canonical SMILES for 5-methoxy-1-N-octylpentane-1,2-diamine is CCCCCCCCNCC(N)CCCOC.
What is the InChIKey of 5-methoxy-1-N-octylpentane-1,2-diamine?
The InChIKey is ZWRKBSHQKPFJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-3-4-5-6-7-8-11-16-13-14(15)10-9-12-17-2/h14,16H,3-13,15H2,1-2H3.
What are the key properties of 5-methoxy-1-N-octylpentane-1,2-diamine?
5-methoxy-1-N-octylpentane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.69, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-N-octylpentane-1,2-diamine is sourced from PubChem (CID 113337399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).