N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine

C12H17N — CID 173274776

IUPACN,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine
SMILESC=CCN(CC=C)C1C=CC=CC1
InChIInChI=1S/C12H17N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-8,12H,1-2,9-11H2
InChIKeyCQOVYOCKNQMIIT-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.55
Rot. Bonds5

About N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine

N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine (PubChem CID 173274776) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine
PubChem CID173274776
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine
SMILESC=CCN(CC=C)C1C=CC=CC1
InChIInChI=1S/C12H17N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-8,12H,1-2,9-11H2
InChIKeyCQOVYOCKNQMIIT-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
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,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine (CID 173274776) is N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine is C=CCN(CC=C)C1C=CC=CC1.
What is the InChIKey of N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is CQOVYOCKNQMIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h3-8,12H,1-2,9-11H2.
What are the key properties of N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine?
N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 173274776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).