N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine

C15H23NS — CID 71222166

IUPACN,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine
SMILESCCN(CC)C1=CC=C(C2CC=C(C)S2)CC1
InChIInChI=1S/C15H23NS/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-6-12(3)17-15/h6-7,9,15H,4-5,8,10-11H2,1-3H3
InChIKeyFCVVNFRXJYJUGW-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.34
Rot. Bonds4

About N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine

N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 71222166) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine
PubChem CID71222166
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine
SMILESCCN(CC)C1=CC=C(C2CC=C(C)S2)CC1
InChIInChI=1S/C15H23NS/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-6-12(3)17-15/h6-7,9,15H,4-5,8,10-11H2,1-3H3
InChIKeyFCVVNFRXJYJUGW-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine (CID 71222166) is N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine is CCN(CC)C1=CC=C(C2CC=C(C)S2)CC1.
What is the InChIKey of N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is FCVVNFRXJYJUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-4-16(5-2)14-9-7-13(8-10-14)15-11-6-12(3)17-15/h6-7,9,15H,4-5,8,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine?
N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 249.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71222166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).