2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine

C11H15N — CID 58219752

IUPAC2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine
SMILESC=CC=CCC1=C(N)CCC=C1
InChIInChI=1S/C11H15N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-5,8H,1,6-7,9,12H2
InChIKeyRWRFIMMHCJHRST-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.68
Rot. Bonds3

About 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine

2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine (PubChem CID 58219752) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine
PubChem CID58219752
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine
SMILESC=CC=CCC1=C(N)CCC=C1
InChIInChI=1S/C11H15N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-5,8H,1,6-7,9,12H2
InChIKeyRWRFIMMHCJHRST-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.68
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

4-N-methyl-4-N-[2-[(2Z)-penta-2,4-dienyl]cyclohexa-1,3-dien-1-yl]-1-N-(3-phenylphenyl)benzene-1,4-diamine
CID 155300103
N-(2-aminocyclohexa-1,5-dien-1-yl)prop-2-enamide
CID 144831896
2-ethylcycloocta-1,3,5-trien-1-amine
CID 67050807
2-chlorocyclohexa-1,3-dien-1-amine
CID 67694801
(2E,6E)-2-fluoro-9-(2-fluorocyclohexa-1,5-dien-1-yl)-1-imino-5,5-dimethyl-4-methylidenenona-2,6-dien-3-amine
CID 89419005
2-N-butylcyclohexa-1,3-diene-1,2-diamine
CID 147582291
4-N-[[2-[(1Z)-buta-1,3-dienyl]cyclohexa-1,5-dien-1-yl]methyl]-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 143685234
N-(2-aminocyclohexa-1,5-dien-1-yl)acetamide
CID 23171965
8-penta-2,4-dienylnaphthalen-1-amine
CID 58219729
(4Z)-3-methylidene-4-prop-2-enylidenecyclohexene
CID 142354681
5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene
CID 57036925
1,2-bis(but-2-enyl)cycloocta-1,5-diene
CID 173112409

Frequently Asked Questions

What is the IUPAC name of 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine (CID 58219752) is 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine is C=CC=CCC1=C(N)CCC=C1.
What is the InChIKey of 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine?
The InChIKey is RWRFIMMHCJHRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-3-4-7-10-8-5-6-9-11(10)12/h2-5,8H,1,6-7,9,12H2.
What are the key properties of 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine?
2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-2,4-dienylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 58219752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).