(E)-N-methyliminoboranyl-1-phenylpropan-2-imine

C10H13BN2 — CID 143866927

IUPAC(E)-N-methyliminoboranyl-1-phenylpropan-2-imine
SMILESC/N=B/N=C(\C)Cc1ccccc1
InChIInChI=1S/C10H13BN2/c1-9(13-11-12-2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3/b13-9+
InChIKeyHACPZSPALUGJBL-UKTHLTGXSA-N
MW172.04 g/mol
LogP2.12
Rot. Bonds3

About (E)-N-methyliminoboranyl-1-phenylpropan-2-imine

(E)-N-methyliminoboranyl-1-phenylpropan-2-imine (PubChem CID 143866927) has the molecular formula C10H13BN2 and a molecular weight of 172.04 g/mol. Its IUPAC name is (E)-N-methyliminoboranyl-1-phenylpropan-2-imine.

Molecular Properties

Compound Name(E)-N-methyliminoboranyl-1-phenylpropan-2-imine
PubChem CID143866927
Molecular FormulaC10H13BN2
Molecular Weight172.04 g/mol
Exact Mass172.12
IUPAC Name(E)-N-methyliminoboranyl-1-phenylpropan-2-imine
SMILESC/N=B/N=C(\C)Cc1ccccc1
InChIInChI=1S/C10H13BN2/c1-9(13-11-12-2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3/b13-9+
InChIKeyHACPZSPALUGJBL-UKTHLTGXSA-N
XLogP2.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.04
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
2-[(Z)-1-phenylpropan-2-ylideneamino]guanidine
CID 5493424
(Z)-2-(1-phenylpropan-2-ylideneamino)ethenamine
CID 143649940
(E)-N-tert-butylsulfanyl-1-phenylpropan-2-imine
CID 130421182
1-phenylpropane-2-thione
CID 19915653
benzene;1-phenylpropan-2-one
CID 21430852
(NE)-N-[1-(4-phenylphenyl)propan-2-ylidene]hydroxylamine
CID 15668083
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
CID 23624143
CID 23624143
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyliminoboranyl-1-phenylpropan-2-imine?
The IUPAC name of (E)-N-methyliminoboranyl-1-phenylpropan-2-imine (CID 143866927) is (E)-N-methyliminoboranyl-1-phenylpropan-2-imine.
What is the SMILES notation for (E)-N-methyliminoboranyl-1-phenylpropan-2-imine?
The canonical SMILES for (E)-N-methyliminoboranyl-1-phenylpropan-2-imine is C/N=B/N=C(\C)Cc1ccccc1.
What is the InChIKey of (E)-N-methyliminoboranyl-1-phenylpropan-2-imine?
The InChIKey is HACPZSPALUGJBL-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H13BN2/c1-9(13-11-12-2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3/b13-9+.
What are the key properties of (E)-N-methyliminoboranyl-1-phenylpropan-2-imine?
(E)-N-methyliminoboranyl-1-phenylpropan-2-imine has a molecular weight of 172.04 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyliminoboranyl-1-phenylpropan-2-imine is sourced from PubChem (CID 143866927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).