N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine

C12H17N — CID 147926584

IUPACN-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine
SMILESC1=CCCC(NC2C=CCCC2)=C1
InChIInChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3,5,7,9,12-13H,2,4,6,8,10H2
InChIKeyIJAQUMKHSNOHEH-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.92
Rot. Bonds2

About N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine

N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine (PubChem CID 147926584) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine
PubChem CID147926584
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine
SMILESC1=CCCC(NC2C=CCCC2)=C1
InChIInChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3,5,7,9,12-13H,2,4,6,8,10H2
InChIKeyIJAQUMKHSNOHEH-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine (CID 147926584) is N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine is C1=CCCC(NC2C=CCCC2)=C1.
What is the InChIKey of N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is IJAQUMKHSNOHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3,5,7,9,12-13H,2,4,6,8,10H2.
What are the key properties of N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine?
N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 175.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 147926584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).