5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine

C9H16N2 — CID 89395028

IUPAC5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
SMILESCNCC1=CC=C(N)CC1C
InChIInChI=1S/C9H16N2/c1-7-5-9(10)4-3-8(7)6-11-2/h3-4,7,11H,5-6,10H2,1-2H3
InChIKeyFEAZSCXHJLDOQI-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.01
Rot. Bonds2

About 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine

5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 89395028) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
PubChem CID89395028
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
SMILESCNCC1=CC=C(N)CC1C
InChIInChI=1S/C9H16N2/c1-7-5-9(10)4-3-8(7)6-11-2/h3-4,7,11H,5-6,10H2,1-2H3
InChIKeyFEAZSCXHJLDOQI-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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine (CID 89395028) is 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine is CNCC1=CC=C(N)CC1C.
What is the InChIKey of 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is FEAZSCXHJLDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-5-9(10)4-3-8(7)6-11-2/h3-4,7,11H,5-6,10H2,1-2H3.
What are the key properties of 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine?
5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine 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 5-methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89395028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).