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

C9H15N — CID 126636722

IUPACN-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCNCC1(C)C=CC=CC1
InChIInChI=1S/C9H15N/c1-9(8-10-2)6-4-3-5-7-9/h3-6,10H,7-8H2,1-2H3
InChIKeyZTQGCCVDKZEDFP-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.73
Rot. Bonds2

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

N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 126636722) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine
PubChem CID126636722
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine
SMILESCNCC1(C)C=CC=CC1
InChIInChI=1S/C9H15N/c1-9(8-10-2)6-4-3-5-7-9/h3-6,10H,7-8H2,1-2H3
InChIKeyZTQGCCVDKZEDFP-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine (CID 126636722) is N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine is CNCC1(C)C=CC=CC1.
What is the InChIKey of N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is ZTQGCCVDKZEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(8-10-2)6-4-3-5-7-9/h3-6,10H,7-8H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine?
N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 137.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylcyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 126636722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).