(4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile

C18H28N2 — CID 90210236

IUPAC(4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile
SMILESCC(C)(C)N[C@H](CCC#N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2/c1-17(2,3)15-11-9-14(10-12-15)16(8-7-13-19)20-18(4,5)6/h9-12,16,20H,7-8H2,1-6H3/t16-/m1/s1
InChIKeyRGISCCVZSRKFOD-MRXNPFEDSA-N
MW272.44 g/mol
LogP4.72
Rot. Bonds4

About (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile

(4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile (PubChem CID 90210236) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile.

Molecular Properties

Compound Name(4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile
PubChem CID90210236
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile
SMILESCC(C)(C)N[C@H](CCC#N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2/c1-17(2,3)15-11-9-14(10-12-15)16(8-7-13-19)20-18(4,5)6/h9-12,16,20H,7-8H2,1-6H3/t16-/m1/s1
InChIKeyRGISCCVZSRKFOD-MRXNPFEDSA-N
XLogP4.72
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile?
The IUPAC name of (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile (CID 90210236) is (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile.
What is the SMILES notation for (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile?
The canonical SMILES for (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile is CC(C)(C)N[C@H](CCC#N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile?
The InChIKey is RGISCCVZSRKFOD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2/c1-17(2,3)15-11-9-14(10-12-15)16(8-7-13-19)20-18(4,5)6/h9-12,16,20H,7-8H2,1-6H3/t16-/m1/s1.
What are the key properties of (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile?
(4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile has a molecular weight of 272.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile is sourced from PubChem (CID 90210236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).