1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol

C22H34N2O2 — CID 57008120

IUPAC1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC(O)CONC1=CCCCC1=Cc1ccccc1)C(C)C
InChIInChI=1S/C22H34N2O2/c1-17(2)24(18(3)4)15-21(25)16-26-23-22-13-9-8-12-20(22)14-19-10-6-5-7-11-19/h5-7,10-11,13-14,17-18,21,23,25H,8-9,12,15-16H2,1-4H3
InChIKeyFSAFAGNXTSMCPE-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.14
Rot. Bonds9

About 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol

1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol (PubChem CID 57008120) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
PubChem CID57008120
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(CC(O)CONC1=CCCCC1=Cc1ccccc1)C(C)C
InChIInChI=1S/C22H34N2O2/c1-17(2)24(18(3)4)15-21(25)16-26-23-22-13-9-8-12-20(22)14-19-10-6-5-7-11-19/h5-7,10-11,13-14,17-18,21,23,25H,8-9,12,15-16H2,1-4H3
InChIKeyFSAFAGNXTSMCPE-UHFFFAOYSA-N
XLogP4.14
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohexen-1-amine
CID 56616499
7-benzylidene-N-[2-[di(propan-2-yl)amino]ethoxy]cyclohepten-1-amine
CID 56619636
6-benzylidene-N-[2-(propan-2-ylamino)ethoxy]cyclohexen-1-amine
CID 56635333
(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-(4-benzylpiperidin-1-yl)propan-2-ol
CID 56997237
1-phenyl-N-(3-piperidin-1-ylpropoxy)hexa-1,3-dien-3-amine
CID 57011050
(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 57048025
(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-(tert-butylamino)propan-2-ol
CID 57064517
(2S)-1-[(8-benzylidenecycloocten-1-yl)amino]oxy-3-morpholin-4-ylpropan-2-ol
CID 57066574
(2R)-1-[[6-[(4-chlorophenyl)methylidene]cyclohexen-1-yl]amino]oxy-3-[cyclohexyl(methyl)amino]propan-2-ol
CID 57070555
(1S,2R)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 57070557
(2S)-1-[(5-benzylidenecyclopenten-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol
CID 57089043
(2S)-1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-ol
CID 57103808

Frequently Asked Questions

What is the IUPAC name of 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol (CID 57008120) is 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol is CC(C)N(CC(O)CONC1=CCCCC1=Cc1ccccc1)C(C)C.
What is the InChIKey of 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol?
The InChIKey is FSAFAGNXTSMCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-17(2)24(18(3)4)15-21(25)16-26-23-22-13-9-8-12-20(22)14-19-10-6-5-7-11-19/h5-7,10-11,13-14,17-18,21,23,25H,8-9,12,15-16H2,1-4H3.
What are the key properties of 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol?
1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol has a molecular weight of 358.53 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-benzylidenecyclohexen-1-yl)amino]oxy-3-[di(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 57008120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).