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

C10H17N — CID 163676331

IUPAC(1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCN[C@@H](C)C1=C(C)CCC=C1
InChIInChI=1S/C10H17N/c1-8-6-4-5-7-10(8)9(2)11-3/h5,7,9,11H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyJHACHQCCNWQYOU-VIFPVBQESA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds2

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

(1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine (PubChem CID 163676331) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine
PubChem CID163676331
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine
SMILESCN[C@@H](C)C1=C(C)CCC=C1
InChIInChI=1S/C10H17N/c1-8-6-4-5-7-10(8)9(2)11-3/h5,7,9,11H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyJHACHQCCNWQYOU-VIFPVBQESA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The IUPAC name of (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine (CID 163676331) is (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine is CN[C@@H](C)C1=C(C)CCC=C1.
What is the InChIKey of (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine?
The InChIKey is JHACHQCCNWQYOU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-4-5-7-10(8)9(2)11-3/h5,7,9,11H,4,6H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine?
(1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(2-methylcyclohexa-1,5-dien-1-yl)ethanamine is sourced from PubChem (CID 163676331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).