5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine

C14H22N2 — CID 137414437

IUPAC5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine
SMILESC=CNCC(=C)C1C(C)=CC=C(NC)C1C
InChIInChI=1S/C14H22N2/c1-6-16-9-11(3)14-10(2)7-8-13(15-5)12(14)4/h6-8,12,14-16H,1,3,9H2,2,4-5H3
InChIKeyMLQWLNBABSMZDM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.59
Rot. Bonds5

About 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine

5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine (PubChem CID 137414437) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine
PubChem CID137414437
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine
SMILESC=CNCC(=C)C1C(C)=CC=C(NC)C1C
InChIInChI=1S/C14H22N2/c1-6-16-9-11(3)14-10(2)7-8-13(15-5)12(14)4/h6-8,12,14-16H,1,3,9H2,2,4-5H3
InChIKeyMLQWLNBABSMZDM-UHFFFAOYSA-N
XLogP2.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine (CID 137414437) is 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine is C=CNCC(=C)C1C(C)=CC=C(NC)C1C.
What is the InChIKey of 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is MLQWLNBABSMZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-16-9-11(3)14-10(2)7-8-13(15-5)12(14)4/h6-8,12,14-16H,1,3,9H2,2,4-5H3.
What are the key properties of 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine?
5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(ethenylamino)prop-1-en-2-yl]-N,4,6-trimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 137414437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).