N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine

C9H20N2O2 — CID 91227344

IUPACN-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine
SMILESCO/C(=N/NC(C)C)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-11-8(12-6)13-9(3,4)5/h7,10H,1-6H3/b11-8-
InChIKeyZMJMJRKAPSFUCI-FLIBITNWSA-N
MW188.27 g/mol
LogP1.72
Rot. Bonds2

About N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine

N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine (PubChem CID 91227344) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine.

Molecular Properties

Compound NameN-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine
PubChem CID91227344
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine
SMILESCO/C(=N/NC(C)C)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)10-11-8(12-6)13-9(3,4)5/h7,10H,1-6H3/b11-8-
InChIKeyZMJMJRKAPSFUCI-FLIBITNWSA-N
XLogP1.72
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-O-tert-butyl 1-O-methyl (2S)-2-methylpropanedioate
CID 91757639
methyl 2,3-dimethyl-2-(propan-2-ylamino)butanoate
CID 62488791
tert-butyl N-methylethanehydrazonate
CID 159503466
4-O-tert-butyl 1-O,1-O-dimethyl 2-amino-1-hydroxybutane-1,1,4-tricarboxylate
CID 86751149
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl (2R)-2-(3-methoxybutan-2-ylamino)propanoate
CID 103903785
tert-butyl (2R)-3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 113331473
ditert-butyl methyl methanetricarboxylate
CID 45278404
tert-butyl N-(1-isothiocyanatoethyl)carbamate
CID 22644508
methyl (2R)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 75487938
tert-butyl 2-(but-3-yn-2-ylamino)acetate
CID 114416604
methyl 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxypropanoate
CID 105492435

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine?
The IUPAC name of N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine (CID 91227344) is N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine.
What is the SMILES notation for N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine?
The canonical SMILES for N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine is CO/C(=N/NC(C)C)OC(C)(C)C.
What is the InChIKey of N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine?
The InChIKey is ZMJMJRKAPSFUCI-FLIBITNWSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)10-11-8(12-6)13-9(3,4)5/h7,10H,1-6H3/b11-8-.
What are the key properties of N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine?
N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine has a molecular weight of 188.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[methoxy-[(2-methylpropan-2-yl)oxy]methylidene]amino]propan-2-amine is sourced from PubChem (CID 91227344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).