N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine

C34H61N — CID 170094616

IUPACN-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine
SMILESC=C(C)CCCCCCCCCCCCCCCCC(=C)NC(CCC(=C)CCC(=C)C)C(=C)C
InChIInChI=1S/C34H61N/c1-29(2)23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-33(8)35-34(31(5)6)28-27-32(7)26-25-30(3)4/h34-35H,1,3,5,7-28H2,2,4,6H3
InChIKeyRZYVAFLXNZTOMR-UHFFFAOYSA-N
MW483.87 g/mol
LogP11.54
Rot. Bonds26

About N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine

N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine (PubChem CID 170094616) has the molecular formula C34H61N and a molecular weight of 483.87 g/mol. Its IUPAC name is N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine.

Molecular Properties

Compound NameN-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine
PubChem CID170094616
Molecular FormulaC34H61N
Molecular Weight483.87 g/mol
Exact Mass483.48
IUPAC NameN-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine
SMILESC=C(C)CCCCCCCCCCCCCCCCC(=C)NC(CCC(=C)CCC(=C)C)C(=C)C
InChIInChI=1S/C34H61N/c1-29(2)23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-33(8)35-34(31(5)6)28-27-32(7)26-25-30(3)4/h34-35H,1,3,5,7-28H2,2,4,6H3
InChIKeyRZYVAFLXNZTOMR-UHFFFAOYSA-N
XLogP11.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.87
LogP ≤ 511.54
H-Bond Donors ≤ 51
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

N-(2-methylhex-1-en-3-yl)-4-methylidenetridec-1-en-2-amine
CID 146427181
2,14-dimethylpentadeca-1,14-diene
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2,8-dimethyl-5-methylidenenona-1,8-diene
CID 91474850
2,3,8-trimethylnona-1,8-diene
CID 155711646
3-(17-methyloctadeca-1,17-dien-2-ylamino)-6-[(5,7,7-trimethyl-6-methylideneoctyl)amino]hepta-1,6-dien-2-ol
CID 153337461
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
2,20-dimethylhenicosa-1,20-diene;ethane;propane
CID 156639867
(3S)-2,6-dimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-1,6-dien-3-amine
CID 170007341
2-methyltetradec-1-ene
CID 521375
N-propan-2-yldec-1-en-2-amine
CID 166755614
5-(carboxymethylamino)-2-(18-methylnonadec-18-enoylamino)-5-oxopentanoic acid
CID 123970051
20-[(2-hydroxy-6-methylhepta-1,6-dien-3-yl)amino]-20-oxoicosanethioic S-acid
CID 164530635

Frequently Asked Questions

What is the IUPAC name of N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine?
The IUPAC name of N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine (CID 170094616) is N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine.
What is the SMILES notation for N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine?
The canonical SMILES for N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine is C=C(C)CCCCCCCCCCCCCCCCC(=C)NC(CCC(=C)CCC(=C)C)C(=C)C.
What is the InChIKey of N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine?
The InChIKey is RZYVAFLXNZTOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H61N/c1-29(2)23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-33(8)35-34(31(5)6)28-27-32(7)26-25-30(3)4/h34-35H,1,3,5,7-28H2,2,4,6H3.
What are the key properties of N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine?
N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine has a molecular weight of 483.87 g/mol, XLogP of 11.54, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,9-dimethyl-6-methylidenedeca-1,9-dien-3-yl)-19-methylicosa-1,19-dien-2-amine is sourced from PubChem (CID 170094616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).