N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine

C26H37BN2 — CID 71364022

IUPACN-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine
SMILESCCCCCCB(N=C(c1ccccc1)C(C)C)N=C(c1ccccc1)C(C)C
InChIInChI=1S/C26H37BN2/c1-6-7-8-15-20-27(28-25(21(2)3)23-16-11-9-12-17-23)29-26(22(4)5)24-18-13-10-14-19-24/h9-14,16-19,21-22H,6-8,15,20H2,1-5H3
InChIKeyFFQOYTYUXUVVDO-UHFFFAOYSA-N
MW388.41 g/mol
LogP7.35
Rot. Bonds11

About N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine

N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine (PubChem CID 71364022) has the molecular formula C26H37BN2 and a molecular weight of 388.41 g/mol. Its IUPAC name is N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine.

Molecular Properties

Compound NameN-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine
PubChem CID71364022
Molecular FormulaC26H37BN2
Molecular Weight388.41 g/mol
Exact Mass388.30
IUPAC NameN-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine
SMILESCCCCCCB(N=C(c1ccccc1)C(C)C)N=C(c1ccccc1)C(C)C
InChIInChI=1S/C26H37BN2/c1-6-7-8-15-20-27(28-25(21(2)3)23-16-11-9-12-17-23)29-26(22(4)5)24-18-13-10-14-19-24/h9-14,16-19,21-22H,6-8,15,20H2,1-5H3
InChIKeyFFQOYTYUXUVVDO-UHFFFAOYSA-N
XLogP7.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87636267
[(3R)-3-methyl-1-phenyldec-1-enyl]benzene
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CID 159185106
N-hexadecyl-1-phenylethanimine
CID 102417154
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
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dodecane;phenol
CID 157210063

Frequently Asked Questions

What is the IUPAC name of N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine?
The IUPAC name of N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine (CID 71364022) is N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine.
What is the SMILES notation for N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine?
The canonical SMILES for N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine is CCCCCCB(N=C(c1ccccc1)C(C)C)N=C(c1ccccc1)C(C)C.
What is the InChIKey of N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine?
The InChIKey is FFQOYTYUXUVVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37BN2/c1-6-7-8-15-20-27(28-25(21(2)3)23-16-11-9-12-17-23)29-26(22(4)5)24-18-13-10-14-19-24/h9-14,16-19,21-22H,6-8,15,20H2,1-5H3.
What are the key properties of N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine?
N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine has a molecular weight of 388.41 g/mol, XLogP of 7.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hexyl-[(2-methyl-1-phenylpropylidene)amino]boranyl]-2-methyl-1-phenylpropan-1-imine is sourced from PubChem (CID 71364022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).