N-methylhepta-1,3,5-trien-1-amine

C8H13N — CID 59935590

IUPACN-methylhepta-1,3,5-trien-1-amine
SMILESCC=CC=CC=CNC
InChIInChI=1S/C8H13N/c1-3-4-5-6-7-8-9-2/h3-9H,1-2H3
InChIKeyUTTUCVNNSVPQPS-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.85
Rot. Bonds3

About N-methylhepta-1,3,5-trien-1-amine

N-methylhepta-1,3,5-trien-1-amine (PubChem CID 59935590) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-methylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-methylhepta-1,3,5-trien-1-amine
PubChem CID59935590
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-methylhepta-1,3,5-trien-1-amine
SMILESCC=CC=CC=CNC
InChIInChI=1S/C8H13N/c1-3-4-5-6-7-8-9-2/h3-9H,1-2H3
InChIKeyUTTUCVNNSVPQPS-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.85
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
dimethyl-[(2E,4E)-5-(methylamino)penta-2,4-dienylidene]azanium
CID 176586531
N-methyldeca-1,3,5,7,9-pentaen-1-amine
CID 59952276
(1E,3E,5E,7E)-8-(methylamino)octa-1,3,5,7-tetraen-1-ol
CID 22950218
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
(4E)-hexa-2,4-diene
CID 22435466
methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
CID 158738891
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
potassium;hexa-2,4-diene;hydride
CID 174550949
penta-1,3-dienylcarbamic acid
CID 152746421
heptaoctaconta-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-tritetracontaene
CID 91440201

Frequently Asked Questions

What is the IUPAC name of N-methylhepta-1,3,5-trien-1-amine?
The IUPAC name of N-methylhepta-1,3,5-trien-1-amine (CID 59935590) is N-methylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-methylhepta-1,3,5-trien-1-amine?
The canonical SMILES for N-methylhepta-1,3,5-trien-1-amine is CC=CC=CC=CNC.
What is the InChIKey of N-methylhepta-1,3,5-trien-1-amine?
The InChIKey is UTTUCVNNSVPQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-5-6-7-8-9-2/h3-9H,1-2H3.
What are the key properties of N-methylhepta-1,3,5-trien-1-amine?
N-methylhepta-1,3,5-trien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 59935590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).