2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine

C22H48N2O — CID 142621085

IUPAC2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine
SMILESCCCCCCC(CN)C(N)CCCOCCCCCCCC(C)C
InChIInChI=1S/C22H48N2O/c1-4-5-6-11-15-21(19-23)22(24)16-13-18-25-17-12-9-7-8-10-14-20(2)3/h20-22H,4-19,23-24H2,1-3H3
InChIKeyGHGMVAUYWRQUSY-UHFFFAOYSA-N
MW356.64 g/mol
LogP5.65
Rot. Bonds19

About 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine

2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine (PubChem CID 142621085) has the molecular formula C22H48N2O and a molecular weight of 356.64 g/mol. Its IUPAC name is 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine.

Molecular Properties

Compound Name2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine
PubChem CID142621085
Molecular FormulaC22H48N2O
Molecular Weight356.64 g/mol
Exact Mass356.38
IUPAC Name2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine
SMILESCCCCCCC(CN)C(N)CCCOCCCCCCCC(C)C
InChIInChI=1S/C22H48N2O/c1-4-5-6-11-15-21(19-23)22(24)16-13-18-25-17-12-9-7-8-10-14-20(2)3/h20-22H,4-19,23-24H2,1-3H3
InChIKeyGHGMVAUYWRQUSY-UHFFFAOYSA-N
XLogP5.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.64
LogP ≤ 55.65
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

5-octoxypentane-1,2-diamine
CID 20527044
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
2-methyl-10,11-bis(8-methylnonyl)docosane
CID 173154476
bis(7-methyloctyl) 2-undecylpropanedioate
CID 87652983
2-(2-methylpropyl)heptane-1,3-diamine
CID 20848283
2-propan-2-yloctan-1-amine
CID 62504332
9-(4-methylpentoxymethyl)nonadecane
CID 59523007
9-nonylheptacosane-1,10-diamine;dihydrofluoride
CID 174769166
2-methyloctacosane
CID 519147

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine?
The IUPAC name of 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine (CID 142621085) is 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine.
What is the SMILES notation for 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine?
The canonical SMILES for 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine is CCCCCCC(CN)C(N)CCCOCCCCCCCC(C)C.
What is the InChIKey of 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine?
The InChIKey is GHGMVAUYWRQUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O/c1-4-5-6-11-15-21(19-23)22(24)16-13-18-25-17-12-9-7-8-10-14-20(2)3/h20-22H,4-19,23-24H2,1-3H3.
What are the key properties of 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine?
2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine has a molecular weight of 356.64 g/mol, XLogP of 5.65, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine is sourced from PubChem (CID 142621085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).