but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane

C65H130N2 — CID 153370650

IUPACbut-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane
SMILESC=C(C)CCCCCCCCC(CCCCCCCCC)N(CCCNC)C(=C)CCCCCCCC.C=CCC.C=CCCC(CCCCCC)CC1CC1.CCCCCCCCCCC
InChIInChI=1S/C35H70N2.C15H28.C11H24.C4H8/c1-7-9-11-13-15-20-24-29-35(30-25-21-17-16-18-22-27-33(3)4)37(32-26-31-36-6)34(5)28-23-19-14-12-10-8-2;1-3-5-7-8-10-14(9-6-4-2)13-15-11-12-15;1-3-5-7-9-11-10-8-6-4-2;1-3-4-2/h35-36H,3,5,7-32H2,1-2,4,6H3;4,14-15H,2-3,5-13H2,1H3;3-11H2,1-2H3;3H,1,4H2,2H3
InChIKeyVUFPNFZIEFMWEP-UHFFFAOYSA-N
MW939.77 g/mol
LogP22.83
Rot. Bonds49

About but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane

but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane (PubChem CID 153370650) has the molecular formula C65H130N2 and a molecular weight of 939.77 g/mol. Its IUPAC name is but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane.

Molecular Properties

Compound Namebut-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane
PubChem CID153370650
Molecular FormulaC65H130N2
Molecular Weight939.77 g/mol
Exact Mass939.02
IUPAC Namebut-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane
SMILESC=C(C)CCCCCCCCC(CCCCCCCCC)N(CCCNC)C(=C)CCCCCCCC.C=CCC.C=CCCC(CCCCCC)CC1CC1.CCCCCCCCCCC
InChIInChI=1S/C35H70N2.C15H28.C11H24.C4H8/c1-7-9-11-13-15-20-24-29-35(30-25-21-17-16-18-22-27-33(3)4)37(32-26-31-36-6)34(5)28-23-19-14-12-10-8-2;1-3-5-7-8-10-14(9-6-4-2)13-15-11-12-15;1-3-5-7-9-11-10-8-6-4-2;1-3-4-2/h35-36H,3,5,7-32H2,1-2,4,6H3;4,14-15H,2-3,5-13H2,1H3;3-11H2,1-2H3;3H,1,4H2,2H3
InChIKeyVUFPNFZIEFMWEP-UHFFFAOYSA-N
XLogP22.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds49
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.77
LogP ≤ 522.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane?
The IUPAC name of but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane (CID 153370650) is but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane.
What is the SMILES notation for but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane?
The canonical SMILES for but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane is C=C(C)CCCCCCCCC(CCCCCCCCC)N(CCCNC)C(=C)CCCCCCCC.C=CCC.C=CCCC(CCCCCC)CC1CC1.CCCCCCCCCCC.
What is the InChIKey of but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane?
The InChIKey is VUFPNFZIEFMWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H70N2.C15H28.C11H24.C4H8/c1-7-9-11-13-15-20-24-29-35(30-25-21-17-16-18-22-27-33(3)4)37(32-26-31-36-6)34(5)28-23-19-14-12-10-8-2;1-3-5-7-8-10-14(9-6-4-2)13-15-11-12-15;1-3-5-7-9-11-10-8-6-4-2;1-3-4-2/h35-36H,3,5,7-32H2,1-2,4,6H3;4,14-15H,2-3,5-13H2,1H3;3-11H2,1-2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane?
but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane has a molecular weight of 939.77 g/mol, XLogP of 22.83, 49 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2-but-3-enyloctylcyclopropane;N'-dec-1-en-2-yl-N-methyl-N'-(19-methylicos-19-en-10-yl)propane-1,3-diamine;undecane is sourced from PubChem (CID 153370650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).