6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine

C11H15N — CID 142922310

IUPAC6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine
SMILESC=C/C=C/C1(C)C=CC=CC1N
InChIInChI=1S/C11H15N/c1-3-4-8-11(2)9-6-5-7-10(11)12/h3-10H,1,12H2,2H3/b8-4+
InChIKeyRESBWRAJRBOOMB-XBXARRHUSA-N
MW161.25 g/mol
LogP2.19
Rot. Bonds2

About 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine

6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 142922310) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID142922310
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine
SMILESC=C/C=C/C1(C)C=CC=CC1N
InChIInChI=1S/C11H15N/c1-3-4-8-11(2)9-6-5-7-10(11)12/h3-10H,1,12H2,2H3/b8-4+
InChIKeyRESBWRAJRBOOMB-XBXARRHUSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(6-tert-butyl-1-methylcyclohexa-2,4-dien-1-yl)prop-2-enal
CID 141008541
1-N,1-dimethylcyclohexa-3,5-diene-1,2-diamine
CID 152759950
6-methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 67028805
1-N,1-N-diethyl-1-methylcyclohexa-3,5-diene-1,2-diamine
CID 70422147
1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine
CID 134378481
1-buta-1,3-dienylbicyclo[2.2.1]hepta-2,5-diene
CID 57135195
1-(1,6-diaminocyclohexa-2,4-dien-1-yl)oxyethanol
CID 67208919
ethane;5-methyl-5,6-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
CID 142048658
3-[(1Z)-buta-1,3-dienyl]-1-azaspiro[3.5]nona-2,5,7-trien-1-amine
CID 142296123
7-tert-butyl-7-methylcyclohepta-1,3,5-triene
CID 90813280
5-but-1-enyl-6-ethoxy-5-methylcyclohexa-1,3-diene
CID 66824992
(6R)-1-chloro-6-ethenylcyclohexa-2,4-dien-1-amine
CID 174464445

Frequently Asked Questions

What is the IUPAC name of 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine (CID 142922310) is 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine is C=C/C=C/C1(C)C=CC=CC1N.
What is the InChIKey of 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is RESBWRAJRBOOMB-XBXARRHUSA-N. The full InChI is InChI=1S/C11H15N/c1-3-4-8-11(2)9-6-5-7-10(11)12/h3-10H,1,12H2,2H3/b8-4+.
What are the key properties of 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine?
6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E)-buta-1,3-dienyl]-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 142922310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).