N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine

C22H25N — CID 59524060

IUPACN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine
SMILESC1=CCCC(N(C2=CCC3CCC=CC3=C2)C2C=CC=CC2)=C1
InChIInChI=1S/C22H25N/c1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22/h1-5,8,10-11,13,16-18,20H,6-7,9,12,14-15H2
InChIKeyKWINBHFIBWQIFY-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.59
Rot. Bonds3

About N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine

N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine (PubChem CID 59524060) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine
PubChem CID59524060
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine
SMILESC1=CCCC(N(C2=CCC3CCC=CC3=C2)C2C=CC=CC2)=C1
InChIInChI=1S/C22H25N/c1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22/h1-5,8,10-11,13,16-18,20H,6-7,9,12,14-15H2
InChIKeyKWINBHFIBWQIFY-UHFFFAOYSA-N
XLogP5.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine (CID 59524060) is N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine is C1=CCCC(N(C2=CCC3CCC=CC3=C2)C2C=CC=CC2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine?
The InChIKey is KWINBHFIBWQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-3-11-20(12-4-1)23(21-13-5-2-6-14-21)22-16-15-18-9-7-8-10-19(18)17-22/h1-5,8,10-11,13,16-18,20H,6-7,9,12,14-15H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine?
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine has a molecular weight of 303.45 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4,4a,5,6-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 59524060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).