azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane

C30H63N — CID 175336315

IUPACazane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane
SMILESCCCCCCCCCCCCCCCCC(C)(C)C1CC1CCCCCCCC.N
InChIInChI=1S/C30H60.H3N/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30(3,4)29-27-28(29)25-23-21-12-10-8-6-2;/h28-29H,5-27H2,1-4H3;1H3
InChIKeyZPMSEKXSIGGENI-UHFFFAOYSA-N
MW437.84 g/mol
LogP11.43
Rot. Bonds23

About azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane

azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane (PubChem CID 175336315) has the molecular formula C30H63N and a molecular weight of 437.84 g/mol. Its IUPAC name is azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane.

Molecular Properties

Compound Nameazane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane
PubChem CID175336315
Molecular FormulaC30H63N
Molecular Weight437.84 g/mol
Exact Mass437.50
IUPAC Nameazane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane
SMILESCCCCCCCCCCCCCCCCC(C)(C)C1CC1CCCCCCCC.N
InChIInChI=1S/C30H60.H3N/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30(3,4)29-27-28(29)25-23-21-12-10-8-6-2;/h28-29H,5-27H2,1-4H3;1H3
InChIKeyZPMSEKXSIGGENI-UHFFFAOYSA-N
XLogP11.43
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.84
LogP ≤ 511.43
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

1-(2-methyloctan-2-yl)-2-undecylcyclopropane
CID 153337424
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
5-methyl-2-(2-methylundecan-2-yl)cyclohexan-1-amine
CID 64765358
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-butyl-2-(5,5-dimethylhexyl)cyclopropane
CID 140604745
5-methyl-2-(2-methylnonan-2-yl)cyclohexan-1-ol
CID 64766694
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
1-propyl-2-undecylcyclopropane
CID 123636027
1-methyl-2-pentadecylcyclopropane
CID 54385825
N,5-dimethyl-2-(2-methyldecan-2-yl)cyclohexan-1-amine
CID 64764075
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146

Frequently Asked Questions

What is the IUPAC name of azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane?
The IUPAC name of azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane (CID 175336315) is azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane.
What is the SMILES notation for azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane?
The canonical SMILES for azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane is CCCCCCCCCCCCCCCCC(C)(C)C1CC1CCCCCCCC.N.
What is the InChIKey of azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane?
The InChIKey is ZPMSEKXSIGGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60.H3N/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-30(3,4)29-27-28(29)25-23-21-12-10-8-6-2;/h28-29H,5-27H2,1-4H3;1H3.
What are the key properties of azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane?
azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane has a molecular weight of 437.84 g/mol, XLogP of 11.43, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(2-methyloctadecan-2-yl)-2-octylcyclopropane is sourced from PubChem (CID 175336315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).