(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine

C9H15N — CID 145106210

IUPAC(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
SMILESCN[C@H](C)C1=CCCC=C1
InChIInChI=1S/C9H15N/c1-8(10-2)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyVWWVXYJIOZMMJE-MRVPVSSYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds2

About (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine

(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine (PubChem CID 145106210) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
PubChem CID145106210
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
SMILESCN[C@H](C)C1=CCCC=C1
InChIInChI=1S/C9H15N/c1-8(10-2)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyVWWVXYJIOZMMJE-MRVPVSSYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
CID 142152612
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
CID 142348400
1-(1-cyclohexa-1,5-dien-1-ylethyl)-N-methylpiperidin-4-amine
CID 144714341
1-cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
2-cyclohexa-1,5-dien-1-yl-N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 171554078
2-(1-cyclohexa-1,5-dien-1-ylbutyl)cyclohexa-1,3-diene
CID 173281402
2-[(3Z)-hexa-3,5-dien-2-yl]cyclohexa-1,3-diene
CID 145269063
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
CID 165151813
2-chloro-2-cyclohexa-1,5-dien-1-yl-N,N-dimethylethanamine
CID 170023943
(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
CID 57236627
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The IUPAC name of (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine (CID 145106210) is (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine.
What is the SMILES notation for (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The canonical SMILES for (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine is CN[C@H](C)C1=CCCC=C1.
What is the InChIKey of (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The InChIKey is VWWVXYJIOZMMJE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(10-2)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
(1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexa-1,5-dien-1-yl-N-methylethanamine is sourced from PubChem (CID 145106210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).