(2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol

C16H20N2O — CID 177421176

IUPAC(2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol
SMILESCC[C@H](CO)N(C)/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O/c1-3-16(12-19)18(2)17-11-13-8-9-14-6-4-5-7-15(14)10-13/h4-11,16,19H,3,12H2,1-2H3/b17-11+/t16-/m1/s1
InChIKeyQWQSZOURHDSEHI-PCJMVEANSA-N
MW256.35 g/mol
LogP2.88
Rot. Bonds5

About (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol

(2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol (PubChem CID 177421176) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol
PubChem CID177421176
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol
SMILESCC[C@H](CO)N(C)/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O/c1-3-16(12-19)18(2)17-11-13-8-9-14-6-4-5-7-15(14)10-13/h4-11,16,19H,3,12H2,1-2H3/b17-11+/t16-/m1/s1
InChIKeyQWQSZOURHDSEHI-PCJMVEANSA-N
XLogP2.88
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(r)-2-((Anthracen-10-yl)methyleneamino)butan-1-ol
CID 129729405
[(2S)-1-(dinaphthalen-2-ylmethylideneamino)pyrrolidin-2-yl]methanol
CID 134877539
(1Z)-5,5-dimethyl-1-(naphthalen-2-ylmethylidene)-4H-pyrazol-1-ium-3-olate
CID 135078921
N,N-diethyl-2-[(E)-naphthalen-2-ylmethylideneamino]oxyethanamine
CID 9570700
(2R)-1-methoxy-N-[(E)-1-naphthalen-2-ylethylideneamino]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 177622336
2-[ethyl-[(E)-1-naphthalen-1-ylethylideneamino]amino]ethanol
CID 143054904
(7-Methylnaphthalen-1-yl)methanimine;2-methylpropan-1-ol
CID 143664987
(2R)-2-[methyl-[(E)-(4-methylphenyl)methylideneamino]amino]butan-1-ol
CID 177449746
(1E)-5,5-dimethyl-1-(naphthalen-2-ylmethylidene)-4H-pyrazol-1-ium-3-olate
CID 177566071
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-naphthalen-2-ylmethanimine
CID 177618332

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol?
The IUPAC name of (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol (CID 177421176) is (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol is CC[C@H](CO)N(C)/N=C/c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol?
The InChIKey is QWQSZOURHDSEHI-PCJMVEANSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-16(12-19)18(2)17-11-13-8-9-14-6-4-5-7-15(14)10-13/h4-11,16,19H,3,12H2,1-2H3/b17-11+/t16-/m1/s1.
What are the key properties of (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol?
(2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(E)-naphthalen-2-ylmethylideneamino]amino]butan-1-ol is sourced from PubChem (CID 177421176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).