4-(8-methylnonoxy)hexane-1,3-diamine

C16H36N2O — CID 18770005

IUPAC4-(8-methylnonoxy)hexane-1,3-diamine
SMILESCCC(OCCCCCCCC(C)C)C(N)CCN
InChIInChI=1S/C16H36N2O/c1-4-16(15(18)11-12-17)19-13-9-7-5-6-8-10-14(2)3/h14-16H,4-13,17-18H2,1-3H3
InChIKeyONWGOGINFTYGJB-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.45
Rot. Bonds13

About 4-(8-methylnonoxy)hexane-1,3-diamine

4-(8-methylnonoxy)hexane-1,3-diamine (PubChem CID 18770005) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 4-(8-methylnonoxy)hexane-1,3-diamine.

Molecular Properties

Compound Name4-(8-methylnonoxy)hexane-1,3-diamine
PubChem CID18770005
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name4-(8-methylnonoxy)hexane-1,3-diamine
SMILESCCC(OCCCCCCCC(C)C)C(N)CCN
InChIInChI=1S/C16H36N2O/c1-4-16(15(18)11-12-17)19-13-9-7-5-6-8-10-14(2)3/h14-16H,4-13,17-18H2,1-3H3
InChIKeyONWGOGINFTYGJB-UHFFFAOYSA-N
XLogP3.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.45
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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Frequently Asked Questions

What is the IUPAC name of 4-(8-methylnonoxy)hexane-1,3-diamine?
The IUPAC name of 4-(8-methylnonoxy)hexane-1,3-diamine (CID 18770005) is 4-(8-methylnonoxy)hexane-1,3-diamine.
What is the SMILES notation for 4-(8-methylnonoxy)hexane-1,3-diamine?
The canonical SMILES for 4-(8-methylnonoxy)hexane-1,3-diamine is CCC(OCCCCCCCC(C)C)C(N)CCN.
What is the InChIKey of 4-(8-methylnonoxy)hexane-1,3-diamine?
The InChIKey is ONWGOGINFTYGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-4-16(15(18)11-12-17)19-13-9-7-5-6-8-10-14(2)3/h14-16H,4-13,17-18H2,1-3H3.
What are the key properties of 4-(8-methylnonoxy)hexane-1,3-diamine?
4-(8-methylnonoxy)hexane-1,3-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.45, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methylnonoxy)hexane-1,3-diamine is sourced from PubChem (CID 18770005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).