3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol

C10H18N2O — CID 89224469

IUPAC3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol
SMILESCNCCN(C)C1=CCCC(O)=C1
InChIInChI=1S/C10H18N2O/c1-11-6-7-12(2)9-4-3-5-10(13)8-9/h4,8,11,13H,3,5-7H2,1-2H3
InChIKeySZAGNCWPWWXSOX-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.26
Rot. Bonds4

About 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol

3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol (PubChem CID 89224469) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol
PubChem CID89224469
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol
SMILESCNCCN(C)C1=CCCC(O)=C1
InChIInChI=1S/C10H18N2O/c1-11-6-7-12(2)9-4-3-5-10(13)8-9/h4,8,11,13H,3,5-7H2,1-2H3
InChIKeySZAGNCWPWWXSOX-UHFFFAOYSA-N
XLogP1.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3E,5Z,7E)-7-piperazin-1-ylnona-3,5,7-trien-4-ol
CID 141950519
3-Piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 143618271
ethane;(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840241
3-(Methylamino)cyclohexa-1,3-dien-1-ol
CID 146807450
Ethane;3-(propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199391
2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol
CID 168968776
6-Amino-2-piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 176132453
(3Z)-2-(propan-2-ylamino)hepta-1,3-dien-4-ol
CID 135056781
(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol
CID 143561889
(2E,4E)-3-methyl-5-[methyl-[2-(methylamino)ethyl]amino]hexa-2,4-dien-2-ol
CID 144840242
3-(Propan-2-ylamino)cyclohexa-1,3-dien-1-ol
CID 168199392
CID 179078215
CID 179078215

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol (CID 89224469) is 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol is CNCCN(C)C1=CCCC(O)=C1.
What is the InChIKey of 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol?
The InChIKey is SZAGNCWPWWXSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-11-6-7-12(2)9-4-3-5-10(13)8-9/h4,8,11,13H,3,5-7H2,1-2H3.
What are the key properties of 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol?
3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 89224469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).