(Z)-N-dipropylboranyl-1-phenylpropan-1-imine

C15H24BN — CID 127258245

IUPAC(Z)-N-dipropylboranyl-1-phenylpropan-1-imine
SMILESCCCB(CCC)/N=C(/CC)c1ccccc1
InChIInChI=1S/C15H24BN/c1-4-12-16(13-5-2)17-15(6-3)14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3/b17-15-
InChIKeyAPOSEFYTYRGVJA-ICFOKQHNSA-N
MW229.18 g/mol
LogP4.70
Rot. Bonds7

About (Z)-N-dipropylboranyl-1-phenylpropan-1-imine

(Z)-N-dipropylboranyl-1-phenylpropan-1-imine (PubChem CID 127258245) has the molecular formula C15H24BN and a molecular weight of 229.18 g/mol. Its IUPAC name is (Z)-N-dipropylboranyl-1-phenylpropan-1-imine.

Molecular Properties

Compound Name(Z)-N-dipropylboranyl-1-phenylpropan-1-imine
PubChem CID127258245
Molecular FormulaC15H24BN
Molecular Weight229.18 g/mol
Exact Mass229.20
IUPAC Name(Z)-N-dipropylboranyl-1-phenylpropan-1-imine
SMILESCCCB(CCC)/N=C(/CC)c1ccccc1
InChIInChI=1S/C15H24BN/c1-4-12-16(13-5-2)17-15(6-3)14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3/b17-15-
InChIKeyAPOSEFYTYRGVJA-ICFOKQHNSA-N
XLogP4.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 54.70
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

N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
(N-diazonio-C-ethylcarbonimidoyl)benzene
CID 134845103
1-(1-phenylpropylideneamino)ethanol
CID 174080576
(E)-N-[bis(2-methylpropyl)boranyl]-4-methyl-1-phenylpentan-1-imine
CID 13129831
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine
CID 155262105
2-benzhydrylidenebutylazanium
CID 86308121
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine
CID 122659216
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dipropylboranyl-1-phenylpropan-1-imine?
The IUPAC name of (Z)-N-dipropylboranyl-1-phenylpropan-1-imine (CID 127258245) is (Z)-N-dipropylboranyl-1-phenylpropan-1-imine.
What is the SMILES notation for (Z)-N-dipropylboranyl-1-phenylpropan-1-imine?
The canonical SMILES for (Z)-N-dipropylboranyl-1-phenylpropan-1-imine is CCCB(CCC)/N=C(/CC)c1ccccc1.
What is the InChIKey of (Z)-N-dipropylboranyl-1-phenylpropan-1-imine?
The InChIKey is APOSEFYTYRGVJA-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H24BN/c1-4-12-16(13-5-2)17-15(6-3)14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3/b17-15-.
What are the key properties of (Z)-N-dipropylboranyl-1-phenylpropan-1-imine?
(Z)-N-dipropylboranyl-1-phenylpropan-1-imine has a molecular weight of 229.18 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dipropylboranyl-1-phenylpropan-1-imine is sourced from PubChem (CID 127258245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).