(2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine

C22H29N — CID 89367444

IUPAC(2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine
SMILES[H]/N=C/[C@H](CCCC)C(C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C22H29N/c1-5-6-13-19(16-23)22(4,20-14-9-7-11-17(20)2)21-15-10-8-12-18(21)3/h7-12,14-16,19,23H,5-6,13H2,1-4H3/b23-16+/t19-/m0/s1
InChIKeyWIXPAGNXUCTPQG-LKZQPVPRSA-N
MW307.48 g/mol
LogP6.07
Rot. Bonds7

About (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine

(2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine (PubChem CID 89367444) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine.

Molecular Properties

Compound Name(2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine
PubChem CID89367444
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name(2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine
SMILES[H]/N=C/[C@H](CCCC)C(C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C22H29N/c1-5-6-13-19(16-23)22(4,20-14-9-7-11-17(20)2)21-15-10-8-12-18(21)3/h7-12,14-16,19,23H,5-6,13H2,1-4H3/b23-16+/t19-/m0/s1
InChIKeyWIXPAGNXUCTPQG-LKZQPVPRSA-N
XLogP6.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine?
The IUPAC name of (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine (CID 89367444) is (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine.
What is the SMILES notation for (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine?
The canonical SMILES for (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine is [H]/N=C/[C@H](CCCC)C(C)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine?
The InChIKey is WIXPAGNXUCTPQG-LKZQPVPRSA-N. The full InChI is InChI=1S/C22H29N/c1-5-6-13-19(16-23)22(4,20-14-9-7-11-17(20)2)21-15-10-8-12-18(21)3/h7-12,14-16,19,23H,5-6,13H2,1-4H3/b23-16+/t19-/m0/s1.
What are the key properties of (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine?
(2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine has a molecular weight of 307.48 g/mol, XLogP of 6.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1,1-bis(2-methylphenyl)ethyl]hexan-1-imine is sourced from PubChem (CID 89367444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).