4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine

C12H16N2 — CID 153236521

IUPAC4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESNC1=CCC(C2=CC=C(N)CC2)C=C1
InChIInChI=1S/C12H16N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1,3,5-7,9H,2,4,8,13-14H2
InChIKeyWQPDRLDHUSCPKF-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.97
Rot. Bonds1

About 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine

4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 153236521) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
PubChem CID153236521
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine
SMILESNC1=CCC(C2=CC=C(N)CC2)C=C1
InChIInChI=1S/C12H16N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1,3,5-7,9H,2,4,8,13-14H2
InChIKeyWQPDRLDHUSCPKF-UHFFFAOYSA-N
XLogP1.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine with MolForge

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Related Compounds

4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-amine
CID 89153783
4-[(4-aminocyclohexa-2,4-dien-1-yl)oxymethoxy]cyclohexa-1,3-dien-1-amine
CID 163487954
CID 89153959
CID 89153959
4-[5-(4-aminocyclohexa-2,4-dien-1-yl)-1H-pyrrol-2-yl]aniline
CID 163686108
4-ethoxycyclohexa-1,5-dien-1-amine
CID 67628843
4-ethenyl-5-methylcyclohepta-1,6-dien-1-amine
CID 163663625
4a,5-dihydroisoquinolin-7-amine
CID 148591095
3-(4-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 138737890
4-[(E)-6-methylhept-2-en-2-yl]cyclohexa-1,5-dien-1-amine
CID 143311445
4-(aminomethyl)cyclohexa-1,3-dien-1-amine
CID 67968263
ethane;methanamine;4-methylcyclohexa-1,3-dien-1-amine
CID 143366498
4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 143057958

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine (CID 153236521) is 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine is NC1=CCC(C2=CC=C(N)CC2)C=C1.
What is the InChIKey of 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is WQPDRLDHUSCPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1,3,5-7,9H,2,4,8,13-14H2.
What are the key properties of 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine?
4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 188.27 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 153236521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).