(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine

C16H23N — CID 143842568

IUPAC(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine
SMILESC=C/C=C\C(C)=C/C.CNCc1ccccc1
InChIInChI=1S/C8H11N.C8H12/c1-9-7-8-5-3-2-4-6-8;1-4-6-7-8(3)5-2/h2-6,9H,7H2,1H3;4-7H,1H2,2-3H3/b;7-6-,8-5-
InChIKeyCNAMLRGMNWDZLM-JLMZEHOHSA-N
MW229.37 g/mol
LogP4.10
Rot. Bonds4

About (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine

(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine (PubChem CID 143842568) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine
PubChem CID143842568
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine
SMILESC=C/C=C\C(C)=C/C.CNCc1ccccc1
InChIInChI=1S/C8H11N.C8H12/c1-9-7-8-5-3-2-4-6-8;1-4-6-7-8(3)5-2/h2-6,9H,7H2,1H3;4-7H,1H2,2-3H3/b;7-6-,8-5-
InChIKeyCNAMLRGMNWDZLM-JLMZEHOHSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine?
The IUPAC name of (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine (CID 143842568) is (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine.
What is the SMILES notation for (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine?
The canonical SMILES for (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine is C=C/C=C\C(C)=C/C.CNCc1ccccc1.
What is the InChIKey of (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine?
The InChIKey is CNAMLRGMNWDZLM-JLMZEHOHSA-N. The full InChI is InChI=1S/C8H11N.C8H12/c1-9-7-8-5-3-2-4-6-8;1-4-6-7-8(3)5-2/h2-6,9H,7H2,1H3;4-7H,1H2,2-3H3/b;7-6-,8-5-.
What are the key properties of (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine?
(3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine has a molecular weight of 229.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-methylhepta-1,3,5-triene;N-methyl-1-phenylmethanamine is sourced from PubChem (CID 143842568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).