6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine

C33H58N2 — CID 145055784

IUPAC6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine
SMILESC=CC(=C)CCC(C)NCCC(=C)CCC(CC)(CC)CCC(=C)CCNC(C)CCC(=C)C=C
InChIInChI=1S/C33H58N2/c1-11-27(5)15-17-31(9)34-25-21-29(7)19-23-33(13-3,14-4)24-20-30(8)22-26-35-32(10)18-16-28(6)12-2/h11-12,31-32,34-35H,1-2,5-8,13-26H2,3-4,9-10H3
InChIKeyOLVMOKRIPWXHNT-UHFFFAOYSA-N
MW482.84 g/mol
LogP9.25
Rot. Bonds24

About 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine

6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine (PubChem CID 145055784) has the molecular formula C33H58N2 and a molecular weight of 482.84 g/mol. Its IUPAC name is 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine.

Molecular Properties

Compound Name6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine
PubChem CID145055784
Molecular FormulaC33H58N2
Molecular Weight482.84 g/mol
Exact Mass482.46
IUPAC Name6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine
SMILESC=CC(=C)CCC(C)NCCC(=C)CCC(CC)(CC)CCC(=C)CCNC(C)CCC(=C)C=C
InChIInChI=1S/C33H58N2/c1-11-27(5)15-17-31(9)34-25-21-29(7)19-23-33(13-3,14-4)24-20-30(8)22-26-35-32(10)18-16-28(6)12-2/h11-12,31-32,34-35H,1-2,5-8,13-26H2,3-4,9-10H3
InChIKeyOLVMOKRIPWXHNT-UHFFFAOYSA-N
XLogP9.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 59.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine?
The IUPAC name of 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine (CID 145055784) is 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine.
What is the SMILES notation for 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine?
The canonical SMILES for 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine is C=CC(=C)CCC(C)NCCC(=C)CCC(CC)(CC)CCC(=C)CCNC(C)CCC(=C)C=C.
What is the InChIKey of 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine?
The InChIKey is OLVMOKRIPWXHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58N2/c1-11-27(5)15-17-31(9)34-25-21-29(7)19-23-33(13-3,14-4)24-20-30(8)22-26-35-32(10)18-16-28(6)12-2/h11-12,31-32,34-35H,1-2,5-8,13-26H2,3-4,9-10H3.
What are the key properties of 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine?
6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine has a molecular weight of 482.84 g/mol, XLogP of 9.25, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-3,9-dimethylidene-N,N'-bis(5-methylidenehept-6-en-2-yl)undecane-1,11-diamine is sourced from PubChem (CID 145055784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).