ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine

C17H33N3 — CID 142482549

IUPACethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine
SMILESCC.CCN(CCN1CCNCC1)C1=CC=C(C)CC1
InChIInChI=1S/C15H27N3.C2H6/c1-3-18(15-6-4-14(2)5-7-15)13-12-17-10-8-16-9-11-17;1-2/h4,6,16H,3,5,7-13H2,1-2H3;1-2H3
InChIKeyZJKOUDVFPCBKCF-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.86
Rot. Bonds5

About ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine

ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 142482549) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine
PubChem CID142482549
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Nameethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine
SMILESCC.CCN(CCN1CCNCC1)C1=CC=C(C)CC1
InChIInChI=1S/C15H27N3.C2H6/c1-3-18(15-6-4-14(2)5-7-15)13-12-17-10-8-16-9-11-17;1-2/h4,6,16H,3,5,7-13H2,1-2H3;1-2H3
InChIKeyZJKOUDVFPCBKCF-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
CID 659118
(E)-6,10-dimethyl-N-(2-(piperazin-1-yl)ethyl)undeca-5,9-dien-2-amine
CID 5389110
1-(Cyclohexen-1-yl)piperazine
CID 1542471
(3E)-4-[4-[(3E)-3-ethyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazin-1-yl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
CID 88576759
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
1-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
1-[(3Z,5E)-3-cyclopropyl-5-(2-fluoropropan-2-yl)hepta-1,3,5-trien-2-yl]piperazine
CID 131995787
1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine
CID 135160132
1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine
CID 142873363
5-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridin-3-amine
CID 169033605
N-(1-fluoro-4H-inden-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 174362793
5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 177223315

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine (CID 142482549) is ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine is CC.CCN(CCN1CCNCC1)C1=CC=C(C)CC1.
What is the InChIKey of ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is ZJKOUDVFPCBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.C2H6/c1-3-18(15-6-4-14(2)5-7-15)13-12-17-10-8-16-9-11-17;1-2/h4,6,16H,3,5,7-13H2,1-2H3;1-2H3.
What are the key properties of ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine?
ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142482549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).