N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine

C12H19N — CID 123439347

IUPACN-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine
SMILESC=C(C=CC(=CC)C(=C)C)CNC
InChIInChI=1S/C12H19N/c1-6-12(10(2)3)8-7-11(4)9-13-5/h6-8,13H,2,4,9H2,1,3,5H3
InChIKeySTLCPGVVSLSYOZ-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.84
Rot. Bonds5

About N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine

N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine (PubChem CID 123439347) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine
PubChem CID123439347
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine
SMILESC=C(C=CC(=CC)C(=C)C)CNC
InChIInChI=1S/C12H19N/c1-6-12(10(2)3)8-7-11(4)9-13-5/h6-8,13H,2,4,9H2,1,3,5H3
InChIKeySTLCPGVVSLSYOZ-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.84
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 N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine?
The IUPAC name of N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine (CID 123439347) is N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine.
What is the SMILES notation for N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine?
The canonical SMILES for N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine is C=C(C=CC(=CC)C(=C)C)CNC.
What is the InChIKey of N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine?
The InChIKey is STLCPGVVSLSYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-6-12(10(2)3)8-7-11(4)9-13-5/h6-8,13H,2,4,9H2,1,3,5H3.
What are the key properties of N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine?
N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-5-prop-1-en-2-ylhepta-3,5-dien-1-amine is sourced from PubChem (CID 123439347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).