(E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine

C23H43N — CID 142974138

IUPAC(E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine
SMILESC=C(C)CCCC(/C=C/C(=C)CCCCC)CCCCCCCN
InChIInChI=1S/C23H43N/c1-5-6-10-15-22(4)18-19-23(17-13-14-21(2)3)16-11-8-7-9-12-20-24/h18-19,23H,2,4-17,20,24H2,1,3H3/b19-18+
InChIKeyRMIARRZKNVTWFH-VHEBQXMUSA-N
MW333.60 g/mol
LogP7.34
Rot. Bonds17

About (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine

(E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine (PubChem CID 142974138) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine.

Molecular Properties

Compound Name(E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine
PubChem CID142974138
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Name(E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine
SMILESC=C(C)CCCC(/C=C/C(=C)CCCCC)CCCCCCCN
InChIInChI=1S/C23H43N/c1-5-6-10-15-22(4)18-19-23(17-13-14-21(2)3)16-11-8-7-9-12-20-24/h18-19,23H,2,4-17,20,24H2,1,3H3/b19-18+
InChIKeyRMIARRZKNVTWFH-VHEBQXMUSA-N
XLogP7.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.34
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3,8-dimethyl-11-(4-methylpent-4-enyl)nonadec-9-ene
CID 143234953
2-methyltetradec-1-ene
CID 521375
2,11-dimethylnonadec-1-ene
CID 123484198
2,10,11-trimethylicos-1-ene
CID 123857380
ethane;2-methyloct-1-ene
CID 143077596
4-ethenyldecane;octan-1-amine
CID 177360659
ethane;2-methyloct-1-ene;propane
CID 177190898
ethane;2-methylhept-1-ene
CID 143682307
(Z)-4-methylidenenon-2-en-1-amine
CID 129022614
(E)-4-methylideneundec-2-ene
CID 13425645
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
ethane;ethene;2-methylhex-1-ene;octane;6-pentylundecane
CID 177138791

Frequently Asked Questions

What is the IUPAC name of (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine?
The IUPAC name of (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine (CID 142974138) is (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine.
What is the SMILES notation for (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine?
The canonical SMILES for (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine is C=C(C)CCCC(/C=C/C(=C)CCCCC)CCCCCCCN.
What is the InChIKey of (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine?
The InChIKey is RMIARRZKNVTWFH-VHEBQXMUSA-N. The full InChI is InChI=1S/C23H43N/c1-5-6-10-15-22(4)18-19-23(17-13-14-21(2)3)16-11-8-7-9-12-20-24/h18-19,23H,2,4-17,20,24H2,1,3H3/b19-18+.
What are the key properties of (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine?
(E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine has a molecular weight of 333.60 g/mol, XLogP of 7.34, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-methylidene-8-(4-methylpent-4-enyl)hexadec-9-en-1-amine is sourced from PubChem (CID 142974138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).