(5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine

C37H71N — CID 167002713

IUPAC(5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC/C(=C\CCCCN(C)C)CCCCCCCCCCC
InChIInChI=1S/C37H71N/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-30-34-37(35-31-28-32-36-38(3)4)33-29-26-24-22-14-12-10-8-6-2/h13,15,17-18,35H,5-12,14,16,19-34,36H2,1-4H3/b15-13-,18-17-,37-35-
InChIKeyRPQTVMRABCTFJJ-CQWFIFKOSA-N
MW529.98 g/mol
LogP12.77
Rot. Bonds30

About (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine

(5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine (PubChem CID 167002713) has the molecular formula C37H71N and a molecular weight of 529.98 g/mol. Its IUPAC name is (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine.

Molecular Properties

Compound Name(5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine
PubChem CID167002713
Molecular FormulaC37H71N
Molecular Weight529.98 g/mol
Exact Mass529.56
IUPAC Name(5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC/C(=C\CCCCN(C)C)CCCCCCCCCCC
InChIInChI=1S/C37H71N/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-30-34-37(35-31-28-32-36-38(3)4)33-29-26-24-22-14-12-10-8-6-2/h13,15,17-18,35H,5-12,14,16,19-34,36H2,1-4H3/b15-13-,18-17-,37-35-
InChIKeyRPQTVMRABCTFJJ-CQWFIFKOSA-N
XLogP12.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.98
LogP ≤ 512.77
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'}

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Related Compounds

(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
(9Z,12Z)-N-[4-(dimethylamino)butoxy]-N-[(9Z,12Z)-octadeca-9,12-dienyl]octadeca-9,12-dien-1-amine
CID 139508900
N,N-dimethyl-N'-[(9Z,12Z)-octadeca-9,12-dienoxy]-N'-[(9Z,12Z)-octadeca-9,12-dienyl]butane-1,4-diamine
CID 139508918
3-[[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-ylidene]amino]-N,N-dimethylpropan-1-amine
CID 58069680
(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
CID 171447799
dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
CID 173410314
19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921
3-[[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-ylidene]amino]oxy-N,N-dimethylpropan-1-amine
CID 58069776
N-[4-(dimethylamino)butyl]-6-hexadecyldocos-5-enamide
CID 54673550
14-octylhexatriaconta-13,23-dienedioic acid
CID 54255221

Frequently Asked Questions

What is the IUPAC name of (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine?
The IUPAC name of (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine (CID 167002713) is (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine.
What is the SMILES notation for (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine?
The canonical SMILES for (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine is CCCCC/C=C\C/C=C\CCCCCCCC/C(=C\CCCCN(C)C)CCCCCCCCCCC.
What is the InChIKey of (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine?
The InChIKey is RPQTVMRABCTFJJ-CQWFIFKOSA-N. The full InChI is InChI=1S/C37H71N/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-30-34-37(35-31-28-32-36-38(3)4)33-29-26-24-22-14-12-10-8-6-2/h13,15,17-18,35H,5-12,14,16,19-34,36H2,1-4H3/b15-13-,18-17-,37-35-.
What are the key properties of (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine?
(5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine has a molecular weight of 529.98 g/mol, XLogP of 12.77, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,15Z,18Z)-N,N-dimethyl-6-undecyltetracosa-5,15,18-trien-1-amine is sourced from PubChem (CID 167002713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).