2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol

C17H24N2O3 — CID 110011442

IUPAC2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol
SMILESCN(C/C=C/c1ccccc1[N+](=O)[O-])CC1CCCCC1O
InChIInChI=1S/C17H24N2O3/c1-18(13-15-8-3-5-11-17(15)20)12-6-9-14-7-2-4-10-16(14)19(21)22/h2,4,6-7,9-10,15,17,20H,3,5,8,11-13H2,1H3/b9-6+
InChIKeyUMUMSBGGJISXID-RMKNXTFCSA-N
MW304.39 g/mol
LogP3.09
Rot. Bonds6

About 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol

2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol (PubChem CID 110011442) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol
PubChem CID110011442
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol
SMILESCN(C/C=C/c1ccccc1[N+](=O)[O-])CC1CCCCC1O
InChIInChI=1S/C17H24N2O3/c1-18(13-15-8-3-5-11-17(15)20)12-6-9-14-7-2-4-10-16(14)19(21)22/h2,4,6-7,9-10,15,17,20H,3,5,8,11-13H2,1H3/b9-6+
InChIKeyUMUMSBGGJISXID-RMKNXTFCSA-N
XLogP3.09
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol (CID 110011442) is 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol is CN(C/C=C/c1ccccc1[N+](=O)[O-])CC1CCCCC1O.
What is the InChIKey of 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is UMUMSBGGJISXID-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-18(13-15-8-3-5-11-17(15)20)12-6-9-14-7-2-4-10-16(14)19(21)22/h2,4,6-7,9-10,15,17,20H,3,5,8,11-13H2,1H3/b9-6+.
What are the key properties of 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol?
2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 304.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110011442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).