azane;2-methyloctadecane

C19H43N — CID 175414560

IUPACazane;2-methyloctadecane
SMILESCCCCCCCCCCCCCCCCC(C)C.N
InChIInChI=1S/C19H40.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h19H,4-18H2,1-3H3;1H3
InChIKeyISYAHSXSKGMDFM-UHFFFAOYSA-N
MW285.56 g/mol
LogP7.68
Rot. Bonds15

About azane;2-methyloctadecane

azane;2-methyloctadecane (PubChem CID 175414560) has the molecular formula C19H43N and a molecular weight of 285.56 g/mol. Its IUPAC name is azane;2-methyloctadecane.

Molecular Properties

Compound Nameazane;2-methyloctadecane
PubChem CID175414560
Molecular FormulaC19H43N
Molecular Weight285.56 g/mol
Exact Mass285.34
IUPAC Nameazane;2-methyloctadecane
SMILESCCCCCCCCCCCCCCCCC(C)C.N
InChIInChI=1S/C19H40.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h19H,4-18H2,1-3H3;1H3
InChIKeyISYAHSXSKGMDFM-UHFFFAOYSA-N
XLogP7.68
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.56
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 90745672
2-methyldecane
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2-methyltetratriacontane
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alumane;2-methyldecane
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2-methylnonane;heptahydrofluoride
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methane;2-methylicosane
CID 157337652
2-methyltricosane;hydrate
CID 172783998
2-methylheptadecane;hydrobromide
CID 174866228
ethane;2-methyloctane;pentane
CID 144527652
2-methylbutane;2-methyltridecane
CID 54106775
mercury;2-methylheptane
CID 175108338

Frequently Asked Questions

What is the IUPAC name of azane;2-methyloctadecane?
The IUPAC name of azane;2-methyloctadecane (CID 175414560) is azane;2-methyloctadecane.
What is the SMILES notation for azane;2-methyloctadecane?
The canonical SMILES for azane;2-methyloctadecane is CCCCCCCCCCCCCCCCC(C)C.N.
What is the InChIKey of azane;2-methyloctadecane?
The InChIKey is ISYAHSXSKGMDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40.H3N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;/h19H,4-18H2,1-3H3;1H3.
What are the key properties of azane;2-methyloctadecane?
azane;2-methyloctadecane has a molecular weight of 285.56 g/mol, XLogP of 7.68, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyloctadecane is sourced from PubChem (CID 175414560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).