N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine

C10H17N — CID 123897730

IUPACN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCNCCC1=CCC(C)C=C1
InChIInChI=1S/C10H17N/c1-9-3-5-10(6-4-9)7-8-11-2/h3,5-6,9,11H,4,7-8H2,1-2H3
InChIKeyNXUUOJIPYIFWJR-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.12
Rot. Bonds3

About N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine

N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine (PubChem CID 123897730) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine
PubChem CID123897730
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCNCCC1=CCC(C)C=C1
InChIInChI=1S/C10H17N/c1-9-3-5-10(6-4-9)7-8-11-2/h3,5-6,9,11H,4,7-8H2,1-2H3
InChIKeyNXUUOJIPYIFWJR-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine (CID 123897730) is N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine is CNCCC1=CCC(C)C=C1.
What is the InChIKey of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The InChIKey is NXUUOJIPYIFWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9-3-5-10(6-4-9)7-8-11-2/h3,5-6,9,11H,4,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine?
N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine has a molecular weight of 151.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)ethanamine is sourced from PubChem (CID 123897730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).