N-methyldeca-1,3,5,7,9-pentaen-1-amine

C11H15N — CID 59952276

IUPACN-methyldeca-1,3,5,7,9-pentaen-1-amine
SMILESC=CC=CC=CC=CC=CNC
InChIInChI=1S/C11H15N/c1-3-4-5-6-7-8-9-10-11-12-2/h3-12H,1H2,2H3
InChIKeyHRNPRKWBGCGQJP-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.57
Rot. Bonds5

About N-methyldeca-1,3,5,7,9-pentaen-1-amine

N-methyldeca-1,3,5,7,9-pentaen-1-amine (PubChem CID 59952276) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-methyldeca-1,3,5,7,9-pentaen-1-amine.

Molecular Properties

Compound NameN-methyldeca-1,3,5,7,9-pentaen-1-amine
PubChem CID59952276
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-methyldeca-1,3,5,7,9-pentaen-1-amine
SMILESC=CC=CC=CC=CC=CNC
InChIInChI=1S/C11H15N/c1-3-4-5-6-7-8-9-10-11-12-2/h3-12H,1H2,2H3
InChIKeyHRNPRKWBGCGQJP-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z,5E)-N-methylhepta-1,3,5-trien-1-amine
CID 142183203
N-methylhepta-1,3,5-trien-1-amine
CID 59935590
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(1E,3E,5E,7E,9E)-N,10-dimethyldodeca-1,3,5,7,9,11-hexaen-1-amine
CID 20710682
(1E,3E,5E,7E)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol
CID 22950218
dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium
CID 176586531
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
CID 158738891
methyl N-[(1E,3E)-hexa-1,3,5-trienyl]carbamate
CID 5368703
(1Z,3Z)-N-butylhexa-1,3,5-trien-1-amine
CID 89185045
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623

Frequently Asked Questions

What is the IUPAC name of N-methyldeca-1,3,5,7,9-pentaen-1-amine?
The IUPAC name of N-methyldeca-1,3,5,7,9-pentaen-1-amine (CID 59952276) is N-methyldeca-1,3,5,7,9-pentaen-1-amine.
What is the SMILES notation for N-methyldeca-1,3,5,7,9-pentaen-1-amine?
The canonical SMILES for N-methyldeca-1,3,5,7,9-pentaen-1-amine is C=CC=CC=CC=CC=CNC.
What is the InChIKey of N-methyldeca-1,3,5,7,9-pentaen-1-amine?
The InChIKey is HRNPRKWBGCGQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-4-5-6-7-8-9-10-11-12-2/h3-12H,1H2,2H3.
What are the key properties of N-methyldeca-1,3,5,7,9-pentaen-1-amine?
N-methyldeca-1,3,5,7,9-pentaen-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyldeca-1,3,5,7,9-pentaen-1-amine is sourced from PubChem (CID 59952276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).