N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine

C9H16N2 — CID 118518570

IUPACN'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine
SMILESCNC(N)C1(C)C=CC=CC1
InChIInChI=1S/C9H16N2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-6,8,11H,7,10H2,1-2H3
InChIKeyRVIMKZBHSFKHFS-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.01
Rot. Bonds2

About N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine

N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine (PubChem CID 118518570) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine.

Molecular Properties

Compound NameN'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine
PubChem CID118518570
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine
SMILESCNC(N)C1(C)C=CC=CC1
InChIInChI=1S/C9H16N2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-6,8,11H,7,10H2,1-2H3
InChIKeyRVIMKZBHSFKHFS-UHFFFAOYSA-N
XLogP1.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine?
The IUPAC name of N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine (CID 118518570) is N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine.
What is the SMILES notation for N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine?
The canonical SMILES for N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine is CNC(N)C1(C)C=CC=CC1.
What is the InChIKey of N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine?
The InChIKey is RVIMKZBHSFKHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-6,8,11H,7,10H2,1-2H3.
What are the key properties of N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine?
N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine has a molecular weight of 152.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine is sourced from PubChem (CID 118518570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).