N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine

C23H27N — CID 71051949

IUPACN-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine
SMILESCC1=CC=C(N(C2=CCCC3CC=CC=C23)C2C=CC=CC2)CC1
InChIInChI=1S/C23H27N/c1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23/h2-6,10,12-14,16,19-20H,7-9,11,15,17H2,1H3
InChIKeyYEFSDWMESVFJLE-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.98
Rot. Bonds3

About N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine

N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine (PubChem CID 71051949) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine
PubChem CID71051949
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine
SMILESCC1=CC=C(N(C2=CCCC3CC=CC=C23)C2C=CC=CC2)CC1
InChIInChI=1S/C23H27N/c1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23/h2-6,10,12-14,16,19-20H,7-9,11,15,17H2,1H3
InChIKeyYEFSDWMESVFJLE-UHFFFAOYSA-N
XLogP5.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine (CID 71051949) is N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine is CC1=CC=C(N(C2=CCCC3CC=CC=C23)C2C=CC=CC2)CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine?
The InChIKey is YEFSDWMESVFJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-18-14-16-21(17-15-18)24(20-10-3-2-4-11-20)23-13-7-9-19-8-5-6-12-22(19)23/h2-6,10,12-14,16,19-20H,7-9,11,15,17H2,1H3.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine?
N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine has a molecular weight of 317.48 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)-3,4,4a,5-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 71051949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).