(E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine

C29H56N2 — CID 134526689

IUPAC(E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine
SMILESC=N/C(=C/CCC)CCCCC(C(C)CN(C)/C=C\C)C(C)(CCC)C(C)CC(C)C
InChIInChI=1S/C29H56N2/c1-11-14-17-27(30-9)18-15-16-19-28(25(6)23-31(10)21-13-3)29(8,20-12-2)26(7)22-24(4)5/h13,17,21,24-26,28H,9,11-12,14-16,18-20,22-23H2,1-8,10H3/b21-13-,27-17+
InChIKeyDFCHKIRHKCKDRN-DDPAVWOSSA-N
MW432.78 g/mol
LogP9.14
Rot. Bonds18

About (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine

(E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine (PubChem CID 134526689) has the molecular formula C29H56N2 and a molecular weight of 432.78 g/mol. Its IUPAC name is (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine
PubChem CID134526689
Molecular FormulaC29H56N2
Molecular Weight432.78 g/mol
Exact Mass432.44
IUPAC Name(E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine
SMILESC=N/C(=C/CCC)CCCCC(C(C)CN(C)/C=C\C)C(C)(CCC)C(C)CC(C)C
InChIInChI=1S/C29H56N2/c1-11-14-17-27(30-9)18-15-16-19-28(25(6)23-31(10)21-13-3)29(8,20-12-2)26(7)22-24(4)5/h13,17,21,24-26,28H,9,11-12,14-16,18-20,22-23H2,1-8,10H3/b21-13-,27-17+
InChIKeyDFCHKIRHKCKDRN-DDPAVWOSSA-N
XLogP9.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.78
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine (CID 134526689) is (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine is C=N/C(=C/CCC)CCCCC(C(C)CN(C)/C=C\C)C(C)(CCC)C(C)CC(C)C.
What is the InChIKey of (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine?
The InChIKey is DFCHKIRHKCKDRN-DDPAVWOSSA-N. The full InChI is InChI=1S/C29H56N2/c1-11-14-17-27(30-9)18-15-16-19-28(25(6)23-31(10)21-13-3)29(8,20-12-2)26(7)22-24(4)5/h13,17,21,24-26,28H,9,11-12,14-16,18-20,22-23H2,1-8,10H3/b21-13-,27-17+.
What are the key properties of (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine?
(E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine has a molecular weight of 432.78 g/mol, XLogP of 9.14, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-8-(methylideneamino)-N-[(Z)-prop-1-enyl]-3-(4,5,7-trimethyloctan-4-yl)dodec-8-en-1-amine is sourced from PubChem (CID 134526689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).