2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine

C20H27N — CID 71234802

IUPAC2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1C=CC(C2=C[C@@](C)(C3C=CC=CC3)CCC2)=C(N)C1
InChIInChI=1S/C20H27N/c1-15-10-11-18(19(21)13-15)16-7-6-12-20(2,14-16)17-8-4-3-5-9-17/h3-5,8,10-11,14-15,17H,6-7,9,12-13,21H2,1-2H3/t15?,17?,20-/m0/s1
InChIKeyICZCOICUFCKFGL-LAGYLCCXSA-N
MW281.44 g/mol
LogP5.04
Rot. Bonds2

About 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine

2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine (PubChem CID 71234802) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine
PubChem CID71234802
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine
SMILESCC1C=CC(C2=C[C@@](C)(C3C=CC=CC3)CCC2)=C(N)C1
InChIInChI=1S/C20H27N/c1-15-10-11-18(19(21)13-15)16-7-6-12-20(2,14-16)17-8-4-3-5-9-17/h3-5,8,10-11,14-15,17H,6-7,9,12-13,21H2,1-2H3/t15?,17?,20-/m0/s1
InChIKeyICZCOICUFCKFGL-LAGYLCCXSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine (CID 71234802) is 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine is CC1C=CC(C2=C[C@@](C)(C3C=CC=CC3)CCC2)=C(N)C1.
What is the InChIKey of 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is ICZCOICUFCKFGL-LAGYLCCXSA-N. The full InChI is InChI=1S/C20H27N/c1-15-10-11-18(19(21)13-15)16-7-6-12-20(2,14-16)17-8-4-3-5-9-17/h3-5,8,10-11,14-15,17H,6-7,9,12-13,21H2,1-2H3/t15?,17?,20-/m0/s1.
What are the key properties of 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine?
2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-cyclohexa-2,4-dien-1-yl-3-methylcyclohexen-1-yl]-5-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71234802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).