ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol

C15H30N2O — CID 177162587

IUPACethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol
SMILESCC.CC1=CC=C(N(C)CCN(C)CCO)CC1
InChIInChI=1S/C13H24N2O.C2H6/c1-12-4-6-13(7-5-12)15(3)9-8-14(2)10-11-16;1-2/h4,6,16H,5,7-11H2,1-3H3;1-2H3
InChIKeyUJZUKSSHGGLTNJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.49
Rot. Bonds6

About ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol

ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol (PubChem CID 177162587) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol.

Molecular Properties

Compound Nameethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol
PubChem CID177162587
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Nameethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol
SMILESCC.CC1=CC=C(N(C)CCN(C)CCO)CC1
InChIInChI=1S/C13H24N2O.C2H6/c1-12-4-6-13(7-5-12)15(3)9-8-14(2)10-11-16;1-2/h4,6,16H,5,7-11H2,1-3H3;1-2H3
InChIKeyUJZUKSSHGGLTNJ-UHFFFAOYSA-N
XLogP2.49
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-3-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]propan-1-ol
CID 177162163
2-[Cyclohexen-1-yl(methyl)amino]ethanol
CID 54089646
2-[4-(Cyclohexen-1-yl)piperazin-1-yl]ethanol
CID 68143188
2-(2,3,4,8-Tetrahydro-1-benzazepin-1-yl)ethanol
CID 70013324
2-[Cyclohexa-1,3-dien-1-yl(ethyl)amino]ethanol
CID 89198757
2-[Prop-1-enyl-(6-prop-1-enylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 123710438
2-[(3,6-Dimethylcyclohexa-1,3-dien-1-yl)-methylamino]ethanol
CID 134376274
2-Methyl-1-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]propan-2-ol
CID 139317796
N-(2-methoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 141830840
ethane;4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 142345469
Ethane;3-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]propan-1-ol
CID 142390317
N-(2-ethoxyethyl)-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 143130108

Frequently Asked Questions

What is the IUPAC name of ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol?
The IUPAC name of ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol (CID 177162587) is ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol.
What is the SMILES notation for ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol?
The canonical SMILES for ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol is CC.CC1=CC=C(N(C)CCN(C)CCO)CC1.
What is the InChIKey of ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol?
The InChIKey is UJZUKSSHGGLTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C2H6/c1-12-4-6-13(7-5-12)15(3)9-8-14(2)10-11-16;1-2/h4,6,16H,5,7-11H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol?
ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol has a molecular weight of 254.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methyl-[2-[methyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]ethyl]amino]ethanol is sourced from PubChem (CID 177162587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).