N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine

C18H34N2 — CID 126514847

IUPACN'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine
SMILESC=C(CC(CNCNC)/C(C)=C/C)C(C)C/C(C)=C\C
InChIInChI=1S/C18H34N2/c1-8-14(3)10-16(5)17(6)11-18(15(4)9-2)12-20-13-19-7/h8-9,16,18-20H,6,10-13H2,1-5,7H3/b14-8-,15-9+
InChIKeyQZDULRLQWLOGIC-DJJIWSAGSA-N
MW278.48 g/mol
LogP4.27
Rot. Bonds10

About N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine

N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine (PubChem CID 126514847) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine
PubChem CID126514847
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine
SMILESC=C(CC(CNCNC)/C(C)=C/C)C(C)C/C(C)=C\C
InChIInChI=1S/C18H34N2/c1-8-14(3)10-16(5)17(6)11-18(15(4)9-2)12-20-13-19-7/h8-9,16,18-20H,6,10-13H2,1-5,7H3/b14-8-,15-9+
InChIKeyQZDULRLQWLOGIC-DJJIWSAGSA-N
XLogP4.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine?
The IUPAC name of N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine (CID 126514847) is N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine?
The canonical SMILES for N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine is C=C(CC(CNCNC)/C(C)=C/C)C(C)C/C(C)=C\C.
What is the InChIKey of N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine?
The InChIKey is QZDULRLQWLOGIC-DJJIWSAGSA-N. The full InChI is InChI=1S/C18H34N2/c1-8-14(3)10-16(5)17(6)11-18(15(4)9-2)12-20-13-19-7/h8-9,16,18-20H,6,10-13H2,1-5,7H3/b14-8-,15-9+.
What are the key properties of N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine?
N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine has a molecular weight of 278.48 g/mol, XLogP of 4.27, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine is sourced from PubChem (CID 126514847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).