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

C12H17N — CID 67817985

IUPACN,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine
SMILESC=CCNC1(CC=C)C=CC=CC1
InChIInChI=1S/C12H17N/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-7,9,13H,1-2,8,10-11H2
InChIKeySXAWGZYXBBHXEJ-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.59
Rot. Bonds5

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

N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine (PubChem CID 67817985) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine
PubChem CID67817985
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine
SMILESC=CCNC1(CC=C)C=CC=CC1
InChIInChI=1S/C12H17N/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-7,9,13H,1-2,8,10-11H2
InChIKeySXAWGZYXBBHXEJ-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.59
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,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine (CID 67817985) is N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine is C=CCNC1(CC=C)C=CC=CC1.
What is the InChIKey of N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is SXAWGZYXBBHXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-8-12(13-11-4-2)9-6-5-7-10-12/h3-7,9,13H,1-2,8,10-11H2.
What are the key properties of N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine?
N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(prop-2-enyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67817985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).