N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine

C20H30N2 — CID 89293553

IUPACN,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine
SMILESC=C(C1=CCC(NCC)C=C1)C1=CC=C(N(CC)CC)CC1
InChIInChI=1S/C20H30N2/c1-5-21-19-12-8-17(9-13-19)16(4)18-10-14-20(15-11-18)22(6-2)7-3/h8-10,12,14,19,21H,4-7,11,13,15H2,1-3H3
InChIKeyIUXQXYDCAOIURP-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.35
Rot. Bonds7

About N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine

N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine (PubChem CID 89293553) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine
PubChem CID89293553
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine
SMILESC=C(C1=CCC(NCC)C=C1)C1=CC=C(N(CC)CC)CC1
InChIInChI=1S/C20H30N2/c1-5-21-19-12-8-17(9-13-19)16(4)18-10-14-20(15-11-18)22(6-2)7-3/h8-10,12,14,19,21H,4-7,11,13,15H2,1-3H3
InChIKeyIUXQXYDCAOIURP-UHFFFAOYSA-N
XLogP4.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine (CID 89293553) is N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine is C=C(C1=CCC(NCC)C=C1)C1=CC=C(N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is IUXQXYDCAOIURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-5-21-19-12-8-17(9-13-19)16(4)18-10-14-20(15-11-18)22(6-2)7-3/h8-10,12,14,19,21H,4-7,11,13,15H2,1-3H3.
What are the key properties of N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine?
N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 298.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]ethenyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89293553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).