decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane

C49H105N — CID 142378872

IUPACdecane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane
SMILESC=C.CCC.CCCCCCCCC(CCCCCCCC)CCCCCCCN(C)CCCCCCC(C)C.CCCCCCCCCC
InChIInChI=1S/C34H71N.C10H22.C3H8.C2H4/c1-6-8-10-12-15-22-28-34(29-23-16-13-11-9-7-2)30-24-17-14-19-25-31-35(5)32-26-20-18-21-27-33(3)4;1-3-5-7-9-10-8-6-4-2;1-3-2;1-2/h33-34H,6-32H2,1-5H3;3-10H2,1-2H3;3H2,1-2H3;1-2H2
InChIKeyUVRXMTBJAIRZND-UHFFFAOYSA-N
MW708.39 g/mol
LogP18.35
Rot. Bonds36

About decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane

decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane (PubChem CID 142378872) has the molecular formula C49H105N and a molecular weight of 708.39 g/mol. Its IUPAC name is decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane.

Molecular Properties

Compound Namedecane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane
PubChem CID142378872
Molecular FormulaC49H105N
Molecular Weight708.39 g/mol
Exact Mass707.82
IUPAC Namedecane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane
SMILESC=C.CCC.CCCCCCCCC(CCCCCCCC)CCCCCCCN(C)CCCCCCC(C)C.CCCCCCCCCC
InChIInChI=1S/C34H71N.C10H22.C3H8.C2H4/c1-6-8-10-12-15-22-28-34(29-23-16-13-11-9-7-2)30-24-17-14-19-25-31-35(5)32-26-20-18-21-27-33(3)4;1-3-5-7-9-10-8-6-4-2;1-3-2;1-2/h33-34H,6-32H2,1-5H3;3-10H2,1-2H3;3H2,1-2H3;1-2H2
InChIKeyUVRXMTBJAIRZND-UHFFFAOYSA-N
XLogP18.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.39
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane with MolForge

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Related Compounds

N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
13-methyl-N-(13-methyltetradecyl)-N-octyltetradecan-1-amine
CID 139723246

Frequently Asked Questions

What is the IUPAC name of decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane?
The IUPAC name of decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane (CID 142378872) is decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane.
What is the SMILES notation for decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane?
The canonical SMILES for decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane is C=C.CCC.CCCCCCCCC(CCCCCCCC)CCCCCCCN(C)CCCCCCC(C)C.CCCCCCCCCC.
What is the InChIKey of decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane?
The InChIKey is UVRXMTBJAIRZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71N.C10H22.C3H8.C2H4/c1-6-8-10-12-15-22-28-34(29-23-16-13-11-9-7-2)30-24-17-14-19-25-31-35(5)32-26-20-18-21-27-33(3)4;1-3-5-7-9-10-8-6-4-2;1-3-2;1-2/h33-34H,6-32H2,1-5H3;3-10H2,1-2H3;3H2,1-2H3;1-2H2.
What are the key properties of decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane?
decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane has a molecular weight of 708.39 g/mol, XLogP of 18.35, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decane;ethene;N-methyl-N-(7-methyloctyl)-8-octylhexadecan-1-amine;propane is sourced from PubChem (CID 142378872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).