N-methyl-6-methyliminohexa-1,3-dien-1-amine

C8H14N2 — CID 59959497

IUPACN-methyl-6-methyliminohexa-1,3-dien-1-amine
SMILESC/N=C/CC=CC=CNC
InChIInChI=1S/C8H14N2/c1-9-7-5-3-4-6-8-10-2/h3-5,7-9H,6H2,1-2H3/b4-3?,7-5?,10-8+
InChIKeyPSSPLEJXJGJLGY-AUDFRRLRSA-N
MW138.21 g/mol
LogP1.37
Rot. Bonds4

About N-methyl-6-methyliminohexa-1,3-dien-1-amine

N-methyl-6-methyliminohexa-1,3-dien-1-amine (PubChem CID 59959497) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-methyl-6-methyliminohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-6-methyliminohexa-1,3-dien-1-amine
PubChem CID59959497
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-methyl-6-methyliminohexa-1,3-dien-1-amine
SMILESC/N=C/CC=CC=CNC
InChIInChI=1S/C8H14N2/c1-9-7-5-3-4-6-8-10-2/h3-5,7-9H,6H2,1-2H3/b4-3?,7-5?,10-8+
InChIKeyPSSPLEJXJGJLGY-AUDFRRLRSA-N
XLogP1.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E,3E,5E)-N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
CID 20641198
N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
CID 54130969
Methyl-[11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 54285233
methyl-[(2E,4E,6E,8E)-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 54465327
Methyl-[9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 54465329
N-methyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 54465330
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
Methyl-[7-(methylamino)hepta-4,6-dienylidene]azanium
CID 59917211
Methyl-[5,6,7,9-tetramethyl-13-(methylamino)trideca-2,4,6,8,10,12-hexaenylidene]azanium
CID 59929322
Methyl-[5,6,7-trimethyl-11-(methylamino)undeca-2,4,6,8,10-pentaenylidene]azanium
CID 59929349
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methyliminohexa-1,3-dien-1-amine?
The IUPAC name of N-methyl-6-methyliminohexa-1,3-dien-1-amine (CID 59959497) is N-methyl-6-methyliminohexa-1,3-dien-1-amine.
What is the SMILES notation for N-methyl-6-methyliminohexa-1,3-dien-1-amine?
The canonical SMILES for N-methyl-6-methyliminohexa-1,3-dien-1-amine is C/N=C/CC=CC=CNC.
What is the InChIKey of N-methyl-6-methyliminohexa-1,3-dien-1-amine?
The InChIKey is PSSPLEJXJGJLGY-AUDFRRLRSA-N. The full InChI is InChI=1S/C8H14N2/c1-9-7-5-3-4-6-8-10-2/h3-5,7-9H,6H2,1-2H3/b4-3?,7-5?,10-8+.
What are the key properties of N-methyl-6-methyliminohexa-1,3-dien-1-amine?
N-methyl-6-methyliminohexa-1,3-dien-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methyliminohexa-1,3-dien-1-amine is sourced from PubChem (CID 59959497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).