N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine

C14H24N2 — CID 143338736

IUPACN-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine
SMILESC=CNC1=CC=C(C)CC1.CC1CCCN1
InChIInChI=1S/C9H13N.C5H11N/c1-3-10-9-6-4-8(2)5-7-9;1-5-3-2-4-6-5/h3-4,6,10H,1,5,7H2,2H3;5-6H,2-4H2,1H3
InChIKeyGFAUVIGEBNPNDG-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.10
Rot. Bonds2

About N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine

N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine (PubChem CID 143338736) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine.

Molecular Properties

Compound NameN-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine
PubChem CID143338736
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine
SMILESC=CNC1=CC=C(C)CC1.CC1CCCN1
InChIInChI=1S/C9H13N.C5H11N/c1-3-10-9-6-4-8(2)5-7-9;1-5-3-2-4-6-5/h3-4,6,10H,1,5,7H2,2H3;5-6H,2-4H2,1H3
InChIKeyGFAUVIGEBNPNDG-UHFFFAOYSA-N
XLogP3.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine?
The IUPAC name of N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine (CID 143338736) is N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine.
What is the SMILES notation for N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine?
The canonical SMILES for N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine is C=CNC1=CC=C(C)CC1.CC1CCCN1.
What is the InChIKey of N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine?
The InChIKey is GFAUVIGEBNPNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C5H11N/c1-3-10-9-6-4-8(2)5-7-9;1-5-3-2-4-6-5/h3-4,6,10H,1,5,7H2,2H3;5-6H,2-4H2,1H3.
What are the key properties of N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine?
N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine has a molecular weight of 220.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-methylcyclohexa-1,3-dien-1-amine;2-methylpyrrolidine is sourced from PubChem (CID 143338736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).