azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine

C18H43N3O2 — CID 172681094

IUPACazane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine
SMILESCCCCCCCCC(CCN)(CCCN)C(C)(OC)OC.N
InChIInChI=1S/C18H40N2O2.H3N/c1-5-6-7-8-9-10-12-18(14-16-20,13-11-15-19)17(2,21-3)22-4;/h5-16,19-20H2,1-4H3;1H3
InChIKeyCOUYYGSZOYSCBK-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.98
Rot. Bonds15

About azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine

azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine (PubChem CID 172681094) has the molecular formula C18H43N3O2 and a molecular weight of 333.56 g/mol. Its IUPAC name is azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine.

Molecular Properties

Compound Nameazane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine
PubChem CID172681094
Molecular FormulaC18H43N3O2
Molecular Weight333.56 g/mol
Exact Mass333.34
IUPAC Nameazane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine
SMILESCCCCCCCCC(CCN)(CCCN)C(C)(OC)OC.N
InChIInChI=1S/C18H40N2O2.H3N/c1-5-6-7-8-9-10-12-18(14-16-20,13-11-15-19)17(2,21-3)22-4;/h5-16,19-20H2,1-4H3;1H3
InChIKeyCOUYYGSZOYSCBK-UHFFFAOYSA-N
XLogP3.98
TPSA105.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-heptyl-3-(trimethoxymethyl)tetradecane-1,14-diamine
CID 151262909
5,5-dimethoxytetradecan-1-amine
CID 150037650
4,4-dimethyltridecan-1-amine
CID 172686024
2-[5-(1,1-dimethoxyethyl)-5-propyltridecyl]oxirane
CID 151468656
3,3-dimethylpentadecan-1-amine
CID 81014127
hexadecan-1-amine;hydroiodide
CID 173125534
azane;hexadecan-1-amine
CID 19891859
decan-1-amine;tetrakis(hexane);hydroiodide
CID 173346664
4-(1,1-dimethoxyethyl)-4-methoxydodecane
CID 151569502
6,6,7,7,8-pentadodecylicosane-1,8-diamine;dihydroiodide
CID 173212033
4-pentadecylheptane-1,4,7-triamine
CID 156536321
5-methyl-5-(trimethoxymethyl)tridecane
CID 150316109

Frequently Asked Questions

What is the IUPAC name of azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine?
The IUPAC name of azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine (CID 172681094) is azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine.
What is the SMILES notation for azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine?
The canonical SMILES for azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine is CCCCCCCCC(CCN)(CCCN)C(C)(OC)OC.N.
What is the InChIKey of azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine?
The InChIKey is COUYYGSZOYSCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O2.H3N/c1-5-6-7-8-9-10-12-18(14-16-20,13-11-15-19)17(2,21-3)22-4;/h5-16,19-20H2,1-4H3;1H3.
What are the key properties of azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine?
azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine has a molecular weight of 333.56 g/mol, XLogP of 3.98, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(1,1-dimethoxyethyl)-3-octylhexane-1,6-diamine is sourced from PubChem (CID 172681094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).